NPASS Natural Product

Natural Product: NPC114102

Natural Product ID:	NPC114102
Common Name:	N-(4-Hydroxyphenethyl)-3-(4-Hydroxy-3-Methoxyphenyl)Propanamide
IUPAC Name:	3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
Synonyms:
Molecular Formula:	C18H21NO4
Standard InCHIKey:	XLIPDHTUSRZSKE-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H21NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-4,6-8,12,20-21H,5,9-11H2,1H3,(H,19,22)
Canonical SMILES:	COc1cc(CCC(=NCCc2ccc(cc2)O)O)ccc1O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO19170	Lasianthaea podocephala	Species	Asteraceae	Eukaryota	UNPD*
NPO19436	Annona cherimola	Species	Annonaceae	Eukaryota	UNPD*
NPO19769	Boschniakia rossica	Species	Orobanchaceae	Eukaryota	UNPD*
NPO16325	Sideritis dasygnaphala	Species	Lamiaceae	Eukaryota	UNPD*
NPO11081	Baccharis grandicapitulata	Species	Asteraceae	Eukaryota	UNPD*
NPO18348	Crotalaria stolzii	Species	Fabaceae	Eukaryota	UNPD*
NPO17296	Beesia calthifolia	Species	Ranunculaceae	Eukaryota	UNPD*
NPO19709	Pseudocyphellaria australiensis	Species	Lobariaceae	Eukaryota	UNPD*
NPO11646	Morella pensylvanica	Species	Myricaceae	Eukaryota	UNPD*
NPO17114	Streptomyces melanogenes	Species	Streptomycetaceae	Bacteria	UNPD*
NPO11164	Renealmia alpinia	Species	Zingiberaceae	Eukaryota	UNPD*
NPO11967	Delphinium giraldii	Species	Ranunculaceae	Eukaryota	UNPD*
NPO4679	Hedysarum gmelini	Species	Fabaceae	Eukaryota	UNPD*
NPO12914	Sarcophyton flexuosum	Species	Alcyoniidae	Eukaryota	UNPD*
NPO16981	Gutierrezia dracunculoides	Species	Asteraceae	Eukaryota	UNPD*
NPO18048	Phlomis crinita	Species	Lamiaceae	Eukaryota	UNPD*
NPO18424	Selinum libanotis	Species	Apiaceae	Eukaryota	UNPD*
NPO29531	Lupinus cosentinii	Species	Fabaceae	Eukaryota	UNPD*
NPO18533	Delisea elegans	Species	Bonnemaisoniaceae	Eukaryota	UNPD*
NPO13358	Piper brachystachyum	Species	Piperaceae	Eukaryota	UNPD*
NPO17230	Psidium acutangulum	Species	Myrtaceae	Eukaryota	UNPD*
NPO29450	Streptomyces parvisporogenes	Species	Streptomycetaceae	Bacteria	UNPD*
NPO5455	Euploca racemosa	Species	Heliotropiaceae	Eukaryota	UNPD*
NPO13737	Tephroseris kirilowii	Species	Asteraceae	Eukaryota	UNPD*
NPO17499	Bursera kerberi	Species	Burseraceae	Eukaryota	UNPD*
NPO14233	Ormosia dasycarpa	Species	Limoniidae	Eukaryota	UNPD*
NPO18169	Creosphaeria sassafras	Species	Xylariaceae	Eukaryota	UNPD*
NPO18676	Clerodendrum trichotomum	Species	Lamiaceae	Eukaryota	UNPD*
NPO15127	Senecio congestus	Species	Asteraceae	Eukaryota	UNPD*
NPO17354	Micromonospora echinospora	Species	Micromonosporaceae	Bacteria	UNPD*
NPO9906	Zephyranthes flava	Species	Amaryllidaceae	Eukaryota	UNPD*
NPO19371	Costasiella ocellifera	Species	Costasiellidae	Eukaryota	UNPD*
NPO19242	Eucalyptus albens	Species	Myrtaceae	Eukaryota	UNPD*
NPO24402.1	Coffea liberica var. dewevrei	Varieties	Rubiaceae	Eukaryota	UNPD*
NPO19083	Alstonia angustiloba	Species	Apocynaceae	Eukaryota	UNPD*
NPO18927	Clinacanthus nutans	Species	Acanthaceae	Eukaryota	UNPD*
NPO1783	Euonymus fortunei	Species	Celastraceae	Eukaryota	UNPD*
NPO15802	Papaver pseudocanescens	Species	Papaveraceae	Eukaryota	UNPD*
NPO25370	Botrychium ternatum	Species	Ophioglossaceae	Eukaryota	UNPD*
NPO17759	Rhododendron mucronulatum	Species	Ericaceae	Eukaryota	UNPD*
NPO29583	Commelinae herba	NA	NA	NA	TCMSP*
NPO12223	Stellaria media	Species	Caryophyllaceae	Eukaryota	UNPD*
NPO18765	Juniperus scopulorum	Species	Cupressaceae	Eukaryota	UNPD*
NPO18262	Aspergillus microcysticus	Species	Aspergillaceae	Eukaryota	UNPD*
NPO968	Artemisia pectinata	Species	Asteraceae	Eukaryota	UNPD*
NPO18602	Melampodium leucanthum	Species	Asteraceae	Eukaryota	UNPD*
NPO16135	Pestalotiopsis oenotherae	Species	Sporocadaceae	Eukaryota	UNPD*
NPO19572	Pellacalyx axillaris	Species	Rhizophoraceae	Eukaryota	UNPD*
NPO8172	Emericellopsis minima	Species	NA	Eukaryota	UNPD*
NPO17630	Helenium integrifolium	Species	Asteraceae	Eukaryota	UNPD*
NPO12870	Curcuma aeruginosa	Species	Zingiberaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT741	Individual Protein	Tyrosinase	Homo sapiens	Inhibition	=	28	%	16442796

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC114102 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	121
0.1-0.2	947
0.2-0.3	3355
0.3-0.4	9587
0.4-0.5	3062
0.5-0.6	5800
0.6-0.7	6030
0.7-0.8	1681
0.8-0.85	236
0.85-0.9	44
0.9-0.95	20
0.95-1	6

Similarity Score	Similarity Level	Natural Product ID
0.976	High Similarity	NPC214869
0.9758	High Similarity	NPC35961
0.9758	High Similarity	NPC195749
0.9758	High Similarity	NPC52029
0.9677	High Similarity	NPC155838
0.9597	High Similarity	NPC251571
0.944	High Similarity	NPC153990
0.944	High Similarity	NPC186898
0.9385	High Similarity	NPC204848
0.9385	High Similarity	NPC312770
0.9385	High Similarity	NPC160607
0.9385	High Similarity	NPC14600
0.9385	High Similarity	NPC41473
0.936	High Similarity	NPC301713
0.9313	High Similarity	NPC299583
0.9297	High Similarity	NPC93882
0.9297	High Similarity	NPC130595
0.9225	High Similarity	NPC285078
0.9225	High Similarity	NPC6854
0.9225	High Similarity	NPC313737
0.9167	High Similarity	NPC296898
0.9154	High Similarity	NPC218530
0.907	High Similarity	NPC308885
0.907	High Similarity	NPC255550
0.9044	High Similarity	NPC5462
0.9024	High Similarity	NPC268572
0.8963	High Similarity	NPC222039
0.8963	High Similarity	NPC100478
0.879	High Similarity	NPC122009
0.879	High Similarity	NPC470626
0.8777	High Similarity	NPC115144
0.8777	High Similarity	NPC277857
0.872	High Similarity	NPC43275
0.8714	High Similarity	NPC471032
0.8714	High Similarity	NPC470935
0.871	High Similarity	NPC293619
0.871	High Similarity	NPC283468
0.8676	High Similarity	NPC477838
0.8676	High Similarity	NPC477837
0.8672	High Similarity	NPC140359
0.8672	High Similarity	NPC13020
0.8662	High Similarity	NPC127402
0.8651	High Similarity	NPC232316
0.8651	High Similarity	NPC165133
0.8651	High Similarity	NPC117780
0.8651	High Similarity	NPC56214
0.8651	High Similarity	NPC227217
0.8651	High Similarity	NPC242885
0.8651	High Similarity	NPC95614
0.8601	High Similarity	NPC275027
0.8594	High Similarity	NPC471315
0.8594	High Similarity	NPC471314
0.8583	High Similarity	NPC207613
0.8582	High Similarity	NPC153644
0.8571	High Similarity	NPC281298
0.8571	High Similarity	NPC310338
0.855	High Similarity	NPC191302
0.8531	High Similarity	NPC52475
0.8529	High Similarity	NPC254610
0.8516	High Similarity	NPC470212
0.8516	High Similarity	NPC324571
0.8516	High Similarity	NPC54872
0.8516	High Similarity	NPC343720
0.8516	High Similarity	NPC312675
0.8516	High Similarity	NPC473853
0.8516	High Similarity	NPC262156
0.8516	High Similarity	NPC160380
0.8516	High Similarity	NPC38996
0.8516	High Similarity	NPC113865
0.8516	High Similarity	NPC184651
0.8483	Intermediate Similarity	NPC107602
0.8472	Intermediate Similarity	NPC18614
0.8468	Intermediate Similarity	NPC142599
0.845	Intermediate Similarity	NPC85488
0.8438	Intermediate Similarity	NPC284078
0.8438	Intermediate Similarity	NPC83279
0.8421	Intermediate Similarity	NPC470706
0.8413	Intermediate Similarity	NPC86947
0.8409	Intermediate Similarity	NPC99798
0.8409	Intermediate Similarity	NPC157740
0.8394	Intermediate Similarity	NPC193528
0.8385	Intermediate Similarity	NPC471693
0.8385	Intermediate Similarity	NPC317769
0.8385	Intermediate Similarity	NPC31344
0.8385	Intermediate Similarity	NPC280704
0.8374	Intermediate Similarity	NPC8547
0.8374	Intermediate Similarity	NPC257124
0.8374	Intermediate Similarity	NPC156840
0.8374	Intermediate Similarity	NPC173746
0.8359	Intermediate Similarity	NPC263835
0.8359	Intermediate Similarity	NPC289330
0.8359	Intermediate Similarity	NPC471308
0.8359	Intermediate Similarity	NPC53596
0.8359	Intermediate Similarity	NPC160120
0.8359	Intermediate Similarity	NPC17388
0.8346	Intermediate Similarity	NPC246974
0.8346	Intermediate Similarity	NPC147247
0.8333	Intermediate Similarity	NPC251466
0.8333	Intermediate Similarity	NPC156944
0.8321	Intermediate Similarity	NPC62101
0.8321	Intermediate Similarity	NPC95733
0.8295	Intermediate Similarity	NPC269843
0.8295	Intermediate Similarity	NPC14007
0.8295	Intermediate Similarity	NPC224814
0.8295	Intermediate Similarity	NPC189844
0.8295	Intermediate Similarity	NPC109083
0.8295	Intermediate Similarity	NPC60962
0.8281	Intermediate Similarity	NPC24474
0.8281	Intermediate Similarity	NPC311595
0.8271	Intermediate Similarity	NPC291449
0.8271	Intermediate Similarity	NPC41331
0.8268	Intermediate Similarity	NPC164386
0.8258	Intermediate Similarity	NPC152186
0.8258	Intermediate Similarity	NPC228771
0.8258	Intermediate Similarity	NPC17943
0.8258	Intermediate Similarity	NPC182147
0.8258	Intermediate Similarity	NPC53305
0.8258	Intermediate Similarity	NPC57490
0.8258	Intermediate Similarity	NPC203133
0.8258	Intermediate Similarity	NPC207541
0.8258	Intermediate Similarity	NPC194519
0.8258	Intermediate Similarity	NPC170583
0.8258	Intermediate Similarity	NPC29477
0.8258	Intermediate Similarity	NPC475169
0.8258	Intermediate Similarity	NPC298757
0.8258	Intermediate Similarity	NPC29008
0.8258	Intermediate Similarity	NPC9067
0.8258	Intermediate Similarity	NPC266705
0.8258	Intermediate Similarity	NPC116907
0.8258	Intermediate Similarity	NPC472093
0.8258	Intermediate Similarity	NPC71105
0.8258	Intermediate Similarity	NPC233410
0.8258	Intermediate Similarity	NPC208950
0.8258	Intermediate Similarity	NPC257589
0.8258	Intermediate Similarity	NPC251855
0.8258	Intermediate Similarity	NPC193544
0.8258	Intermediate Similarity	NPC117214
0.8258	Intermediate Similarity	NPC148627
0.8258	Intermediate Similarity	NPC246133
0.8258	Intermediate Similarity	NPC221077
0.8244	Intermediate Similarity	NPC228922
0.8244	Intermediate Similarity	NPC197757
0.8244	Intermediate Similarity	NPC211218
0.8231	Intermediate Similarity	NPC290451
0.8231	Intermediate Similarity	NPC127389
0.8222	Intermediate Similarity	NPC326599
0.8222	Intermediate Similarity	NPC329595
0.8211	Intermediate Similarity	NPC246358
0.8211	Intermediate Similarity	NPC233731
0.8211	Intermediate Similarity	NPC36108
0.8211	Intermediate Similarity	NPC7097
0.8203	Intermediate Similarity	NPC474040
0.8203	Intermediate Similarity	NPC474214
0.8201	Intermediate Similarity	NPC231572
0.8195	Intermediate Similarity	NPC84076
0.8195	Intermediate Similarity	NPC44748
0.8195	Intermediate Similarity	NPC223136
0.8195	Intermediate Similarity	NPC304630
0.8195	Intermediate Similarity	NPC120225
0.8195	Intermediate Similarity	NPC127937
0.8195	Intermediate Similarity	NPC191037
0.8195	Intermediate Similarity	NPC58607
0.8195	Intermediate Similarity	NPC178284
0.8195	Intermediate Similarity	NPC78974
0.8195	Intermediate Similarity	NPC274356
0.8195	Intermediate Similarity	NPC90128
0.8195	Intermediate Similarity	NPC17837
0.8195	Intermediate Similarity	NPC214406
0.8195	Intermediate Similarity	NPC28730
0.8195	Intermediate Similarity	NPC103823
0.8195	Intermediate Similarity	NPC213552
0.8195	Intermediate Similarity	NPC92207
0.8195	Intermediate Similarity	NPC18924
0.8195	Intermediate Similarity	NPC303680
0.8194	Intermediate Similarity	NPC147390
0.8194	Intermediate Similarity	NPC246587
0.8194	Intermediate Similarity	NPC24233
0.8194	Intermediate Similarity	NPC428
0.8194	Intermediate Similarity	NPC135538
0.8194	Intermediate Similarity	NPC476571
0.8188	Intermediate Similarity	NPC329837
0.8182	Intermediate Similarity	NPC114901
0.8182	Intermediate Similarity	NPC293701
0.8182	Intermediate Similarity	NPC300955
0.8182	Intermediate Similarity	NPC48990
0.8168	Intermediate Similarity	NPC262253
0.8168	Intermediate Similarity	NPC41562
0.8168	Intermediate Similarity	NPC473411
0.8168	Intermediate Similarity	NPC71579
0.814	Intermediate Similarity	NPC474320
0.8138	Intermediate Similarity	NPC182119
0.8134	Intermediate Similarity	NPC292056
0.8134	Intermediate Similarity	NPC236791
0.8134	Intermediate Similarity	NPC111247
0.8134	Intermediate Similarity	NPC106511
0.8134	Intermediate Similarity	NPC210355
0.8134	Intermediate Similarity	NPC127587
0.8134	Intermediate Similarity	NPC21563
0.8134	Intermediate Similarity	NPC74817
0.8134	Intermediate Similarity	NPC165045

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC114102 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	122
0.1-0.2	642
0.2-0.3	961
0.3-0.4	2032
0.4-0.5	2497
0.5-0.6	1722
0.6-0.7	912
0.7-0.8	250
0.8-0.85	20
0.85-0.9	0
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9297	High Similarity	NPD2674	Phase 3
0.907	High Similarity	NPD3145	Approved
0.907	High Similarity	NPD3144	Approved
0.8489	Intermediate Similarity	NPD6331	Phase 2
0.8385	Intermediate Similarity	NPD1669	Approved
0.8374	Intermediate Similarity	NPD228	Approved
0.8333	Intermediate Similarity	NPD2161	Phase 2
0.8321	Intermediate Similarity	NPD2922	Phase 1
0.8286	Intermediate Similarity	NPD3060	Approved
0.8252	Intermediate Similarity	NPD4123	Phase 3
0.8244	Intermediate Similarity	NPD3676	Clinical (unspecified phase)
0.8227	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.8214	Intermediate Similarity	NPD7153	Discontinued
0.8209	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.8106	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.8102	Intermediate Similarity	NPD1558	Phase 1
0.8095	Intermediate Similarity	NPD5283	Phase 1
0.8088	Intermediate Similarity	NPD5718	Phase 2
0.8069	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.803	Intermediate Similarity	NPD2337	Clinical (unspecified phase)
0.8028	Intermediate Similarity	NPD4162	Approved
0.8015	Intermediate Similarity	NPD3027	Phase 3
0.8	Intermediate Similarity	NPD4739	Approved
0.7973	Intermediate Similarity	NPD4675	Approved
0.7973	Intermediate Similarity	NPD4678	Approved
0.7956	Intermediate Similarity	NPD5111	Phase 2
0.7956	Intermediate Similarity	NPD5110	Phase 2
0.7956	Intermediate Similarity	NPD5109	Approved
0.7939	Intermediate Similarity	NPD2668	Approved
0.7939	Intermediate Similarity	NPD2667	Approved
0.7929	Intermediate Similarity	NPD6895	Approved
0.7929	Intermediate Similarity	NPD6896	Approved
0.7917	Intermediate Similarity	NPD5241	Discontinued
0.7905	Intermediate Similarity	NPD4005	Discontinued
0.7852	Intermediate Similarity	NPD3053	Approved
0.7852	Intermediate Similarity	NPD3055	Approved
0.7823	Intermediate Similarity	NPD52	Approved
0.7823	Intermediate Similarity	NPD7527	Clinical (unspecified phase)
0.7823	Intermediate Similarity	NPD7526	Approved
0.7815	Intermediate Similarity	NPD5772	Approved
0.7815	Intermediate Similarity	NPD2978	Approved
0.7815	Intermediate Similarity	NPD5773	Approved
0.7815	Intermediate Similarity	NPD2977	Approved
0.7794	Intermediate Similarity	NPD6584	Phase 3
0.7778	Intermediate Similarity	NPD4236	Phase 3
0.7778	Intermediate Similarity	NPD4237	Approved
0.7778	Intermediate Similarity	NPD5310	Approved
0.7778	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD5311	Approved
0.7778	Intermediate Similarity	NPD3021	Approved
0.7778	Intermediate Similarity	NPD3022	Approved
0.7778	Intermediate Similarity	NPD5177	Phase 3
0.7762	Intermediate Similarity	NPD1375	Discontinued
0.7761	Intermediate Similarity	NPD2232	Approved
0.7761	Intermediate Similarity	NPD2233	Approved
0.7761	Intermediate Similarity	NPD2230	Approved
0.7748	Intermediate Similarity	NPD7945	Clinical (unspecified phase)
0.7734	Intermediate Similarity	NPD9379	Approved
0.7734	Intermediate Similarity	NPD9377	Approved
0.7714	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7708	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.7687	Intermediate Similarity	NPD4357	Discontinued
0.7643	Intermediate Similarity	NPD4083	Discontinued
0.7643	Intermediate Similarity	NPD840	Approved
0.7643	Intermediate Similarity	NPD7477	Discontinued
0.7643	Intermediate Similarity	NPD839	Approved
0.7643	Intermediate Similarity	NPD1726	Clinical (unspecified phase)
0.7626	Intermediate Similarity	NPD1024	Discontinued
0.7626	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7622	Intermediate Similarity	NPD4108	Discontinued
0.7622	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7622	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7609	Intermediate Similarity	NPD1712	Approved
0.7606	Intermediate Similarity	NPD2157	Approved
0.7597	Intermediate Similarity	NPD821	Approved
0.7589	Intermediate Similarity	NPD3059	Approved
0.7589	Intermediate Similarity	NPD3062	Approved
0.7589	Intermediate Similarity	NPD3061	Approved
0.7582	Intermediate Similarity	NPD5563	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD5536	Phase 2
0.7574	Intermediate Similarity	NPD6582	Phase 2
0.7574	Intermediate Similarity	NPD6583	Phase 3
0.7564	Intermediate Similarity	NPD7201	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD2219	Phase 1
0.7548	Intermediate Similarity	NPD4055	Discovery
0.7533	Intermediate Similarity	NPD2122	Discontinued
0.7517	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7517	Intermediate Similarity	NPD1754	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7124	Phase 2
0.75	Intermediate Similarity	NPD2235	Phase 2
0.75	Intermediate Similarity	NPD2231	Phase 2
0.7483	Intermediate Similarity	NPD2653	Approved
0.7483	Intermediate Similarity	NPD5314	Approved
0.7466	Intermediate Similarity	NPD1044	Clinical (unspecified phase)
0.7466	Intermediate Similarity	NPD7596	Clinical (unspecified phase)
0.7465	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7465	Intermediate Similarity	NPD3620	Phase 2
0.7447	Intermediate Similarity	NPD2028	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD5604	Discontinued
0.7432	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7424	Intermediate Similarity	NPD709	Approved
0.741	Intermediate Similarity	NPD7451	Discontinued
0.7407	Intermediate Similarity	NPD9384	Approved
0.7407	Intermediate Similarity	NPD9381	Approved
0.7405	Intermediate Similarity	NPD2229	Approved
0.7405	Intermediate Similarity	NPD2228	Approved
0.7405	Intermediate Similarity	NPD2234	Approved
0.74	Intermediate Similarity	NPD3985	Discontinued
0.74	Intermediate Similarity	NPD4584	Approved
0.7397	Intermediate Similarity	NPD3656	Approved
0.7394	Intermediate Similarity	NPD554	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD9634	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD3687	Approved
0.7368	Intermediate Similarity	NPD3686	Approved
0.7361	Intermediate Similarity	NPD3052	Approved
0.7361	Intermediate Similarity	NPD3054	Approved
0.7358	Intermediate Similarity	NPD4010	Discontinued
0.7358	Intermediate Similarity	NPD4606	Clinical (unspecified phase)
0.7357	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7355	Intermediate Similarity	NPD6818	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD3655	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD2808	Discontinued
0.7343	Intermediate Similarity	NPD1613	Approved
0.7343	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7343	Intermediate Similarity	NPD2238	Phase 2
0.7338	Intermediate Similarity	NPD6072	Discontinued
0.7333	Intermediate Similarity	NPD4093	Discontinued
0.7333	Intermediate Similarity	NPD1357	Approved
0.7325	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD7831	Phase 2
0.7325	Intermediate Similarity	NPD7833	Phase 2
0.732	Intermediate Similarity	NPD3455	Phase 2
0.7319	Intermediate Similarity	NPD3685	Discontinued
0.7319	Intermediate Similarity	NPD9622	Approved
0.7319	Intermediate Similarity	NPD2983	Phase 2
0.7319	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7319	Intermediate Similarity	NPD2982	Phase 2
0.7315	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD9280	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD6662	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD6030	Approved
0.7303	Intermediate Similarity	NPD6031	Approved
0.7296	Intermediate Similarity	NPD2821	Approved
0.7287	Intermediate Similarity	NPD2684	Approved
0.7286	Intermediate Similarity	NPD9621	Approved
0.7286	Intermediate Similarity	NPD9619	Approved
0.7286	Intermediate Similarity	NPD7905	Discontinued
0.7286	Intermediate Similarity	NPD9620	Approved
0.7285	Intermediate Similarity	NPD3536	Discontinued
0.7285	Intermediate Similarity	NPD1771	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD3531	Approved
0.7273	Intermediate Similarity	NPD3532	Approved
0.7273	Intermediate Similarity	NPD3530	Approved
0.7273	Intermediate Similarity	NPD1423	Approved
0.7267	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD2883	Discontinued
0.7246	Intermediate Similarity	NPD2981	Phase 2
0.7241	Intermediate Similarity	NPD1772	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD3596	Phase 2
0.7234	Intermediate Similarity	NPD3018	Phase 2
0.7234	Intermediate Similarity	NPD4993	Discontinued
0.7231	Intermediate Similarity	NPD1792	Phase 2
0.7226	Intermediate Similarity	NPD5090	Approved
0.7226	Intermediate Similarity	NPD5089	Approved
0.7226	Intermediate Similarity	NPD3847	Discontinued
0.7222	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD4060	Phase 1
0.7208	Intermediate Similarity	NPD3111	Phase 1
0.7208	Intermediate Similarity	NPD824	Approved
0.7203	Intermediate Similarity	NPD1039	Discontinued
0.7203	Intermediate Similarity	NPD598	Approved
0.7203	Intermediate Similarity	NPD597	Approved
0.7203	Intermediate Similarity	NPD601	Approved
0.7203	Intermediate Similarity	NPD3056	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD3692	Discontinued
0.7197	Intermediate Similarity	NPD7843	Approved
0.7192	Intermediate Similarity	NPD6111	Discontinued
0.7181	Intermediate Similarity	NPD2460	Phase 3
0.7181	Intermediate Similarity	NPD2459	Approved
0.7181	Intermediate Similarity	NPD2458	Approved
0.7164	Intermediate Similarity	NPD7157	Approved
0.716	Intermediate Similarity	NPD2489	Approved
0.716	Intermediate Similarity	NPD27	Approved
0.7154	Intermediate Similarity	NPD2934	Approved
0.7154	Intermediate Similarity	NPD9296	Approved
0.7154	Intermediate Similarity	NPD2933	Approved
0.7153	Intermediate Similarity	NPD3058	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD1132	Approved
0.7153	Intermediate Similarity	NPD1130	Approved
0.7153	Intermediate Similarity	NPD259	Phase 1
0.7153	Intermediate Similarity	NPD1136	Approved
0.7143	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD4003	Phase 3
0.7134	Intermediate Similarity	NPD5929	Approved
0.7133	Intermediate Similarity	NPD4110	Phase 3
0.7133	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD6580	Approved
0.7132	Intermediate Similarity	NPD2486	Discontinued

Structure

CID114102 OpenBabel06191715472D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 6 1 0 0 0 0 2 13 2 0 0 0 0 3 7 2 0 0 0 0 3 13 1 0 0 0 0 4 8 2 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 15 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 19 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 23 1 0 0 0 0 18 19 2 3 0 0 0 18 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	16119667
ChEMBL	CHEMBL206409
ZINC

Physicochemical Properties

Molecular Weight:	315.15
ALogP:	-0.9138
MLogP:	2.89
XLogP:	2.854
# Rotatable Bonds:	11
Polar Surface Area:	82.28
# H-Bond Aceptor:	2
# H-Bond Donor:	3
# Rings:	2
# Heavy Atoms:	23

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