NPASS Natural Product

Natural Product: NPC277460

Natural Product ID:	NPC277460
Common Name:	(E)-Cinnamyl (E)-3,4-Dimethoxycinnamate
IUPAC Name:	[(E)-3-phenylprop-2-enyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Synonyms:
Molecular Formula:	C20H20O4
Standard InCHIKey:	LBOIOHBTBLUNML-PDEGXQQQSA-N
Standard InCHI:	InChI=1S/C20H20O4/c1-22-18-12-10-17(15-19(18)23-2)11-13-20(21)24-14-6-9-16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3/b9-6+,13-11+
Canonical SMILES:	COc1cc(/C=C/C(=O)OC/C=C/c2ccccc2)ccc1OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO13876	Cedrela salvadorensis	Species	Meliaceae	Eukaryota	UNPD*
NPO7541	Ormosia hosiei	Species	Fabaceae	Eukaryota	UNPD*
NPO13379	Schizanthus tricolor	Species	Solanaceae	Eukaryota	UNPD*
NPO33094	korean propolis	Species	NA	NA	PMID[24928402]
NPO3013	Clathria basilana	Species	Microcionidae	Eukaryota	UNPD*
NPO14169	Acrocarpia paniculata	Species	Sargassaceae	Eukaryota	UNPD*
NPO13178	Ornithoglossum viride	Species	Colchicaceae	Eukaryota	UNPD*
NPO14369	Pocillopora eydouxi	Species	Pocilloporidae	Eukaryota	UNPD*
NPO13473	Anodendron affine	Species	Apocynaceae	Eukaryota	UNPD*
NPO12521	Sphaeranthus confertifolius	Species	Asteraceae	Eukaryota	UNPD*
NPO14470	Polypodium decumanum	Species	Polypodiidae	Eukaryota	UNPD*
NPO4700	Pertusaria truncata	Species	Pertusariaceae	Eukaryota	UNPD*
NPO12006	Apis mellifera	Species	Apidae	Eukaryota	UNPD*
NPO13669	Hertia cheirifolia	Species	Asteraceae	Eukaryota	UNPD*
NPO9569	Licaria chrysophylla	Species	Lauraceae	Eukaryota	UNPD*
NPO5280	Rubia tetragona	Species	Rubiaceae	Eukaryota	UNPD*
NPO11266	Garcinia cambogia	Species	Clusiaceae	Eukaryota	UNPD*
NPO11842	Petasites laevigatus	Species	Asteraceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
Others	2

Activity Type	# Activity
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Ratio IC50	>	500		24928402

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 NPC277460 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	186
0.1-0.2	1165
0.2-0.3	2825
0.3-0.4	7551
0.4-0.5	5547
0.5-0.6	2964
0.6-0.7	7440
0.7-0.8	2848
0.8-0.85	273
0.85-0.9	74
0.9-0.95	16
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9402	High Similarity	NPC246704
0.9391	High Similarity	NPC471877
0.9322	High Similarity	NPC289459
0.9244	High Similarity	NPC213552
0.9244	High Similarity	NPC120225
0.9217	High Similarity	NPC37858
0.9211	High Similarity	NPC185738
0.9211	High Similarity	NPC280001
0.9145	High Similarity	NPC114845
0.9115	High Similarity	NPC294941
0.9091	High Similarity	NPC110313
0.9068	High Similarity	NPC288238
0.906	High Similarity	NPC204466
0.9052	High Similarity	NPC69670
0.9016	High Similarity	NPC83062
0.9008	High Similarity	NPC194841
0.8992	High Similarity	NPC279379
0.8983	High Similarity	NPC70752
0.8974	High Similarity	NPC202474
0.8966	High Similarity	NPC124916
0.8966	High Similarity	NPC159916
0.8957	High Similarity	NPC268317
0.8929	High Similarity	NPC179309
0.8917	High Similarity	NPC20443
0.8917	High Similarity	NPC60517
0.8917	High Similarity	NPC146886
0.8898	High Similarity	NPC109083
0.8898	High Similarity	NPC60962
0.8898	High Similarity	NPC224814
0.8898	High Similarity	NPC14007
0.8898	High Similarity	NPC189844
0.8898	High Similarity	NPC269843
0.8879	High Similarity	NPC199209
0.8879	High Similarity	NPC212643
0.885	High Similarity	NPC245552
0.8833	High Similarity	NPC470887
0.8833	High Similarity	NPC21238
0.8824	High Similarity	NPC193484
0.8814	High Similarity	NPC222175
0.8814	High Similarity	NPC2058
0.8803	High Similarity	NPC272471
0.8803	High Similarity	NPC70744
0.8803	High Similarity	NPC137537
0.8803	High Similarity	NPC107588
0.8803	High Similarity	NPC164706
0.88	High Similarity	NPC5423
0.878	High Similarity	NPC478215
0.877	High Similarity	NPC127604
0.8739	High Similarity	NPC326447
0.8699	High Similarity	NPC223807
0.8696	High Similarity	NPC165106
0.8696	High Similarity	NPC303522
0.8689	High Similarity	NPC85830
0.8689	High Similarity	NPC27352
0.8678	High Similarity	NPC229084
0.8678	High Similarity	NPC160900
0.8678	High Similarity	NPC18984
0.8678	High Similarity	NPC106659
0.8661	High Similarity	NPC258171
0.8661	High Similarity	NPC151530
0.8661	High Similarity	NPC135127
0.8661	High Similarity	NPC157473
0.8651	High Similarity	NPC245120
0.8644	High Similarity	NPC275519
0.864	High Similarity	NPC19242
0.8636	High Similarity	NPC179686
0.8632	High Similarity	NPC9341
0.8632	High Similarity	NPC81067
0.8629	High Similarity	NPC210674
0.8595	High Similarity	NPC256167
0.8583	High Similarity	NPC267064
0.8583	High Similarity	NPC470849
0.8583	High Similarity	NPC470848
0.8571	High Similarity	NPC141791
0.8571	High Similarity	NPC57501
0.8571	High Similarity	NPC263386
0.8571	High Similarity	NPC176971
0.856	High Similarity	NPC476748
0.8559	High Similarity	NPC109637
0.8547	High Similarity	NPC47194
0.8547	High Similarity	NPC473264
0.8547	High Similarity	NPC475815
0.8545	High Similarity	NPC12714
0.8545	High Similarity	NPC310905
0.8537	High Similarity	NPC87113
0.8527	High Similarity	NPC120852
0.8527	High Similarity	NPC90431
0.8525	High Similarity	NPC108545
0.8516	High Similarity	NPC111635
0.8512	High Similarity	NPC310373
0.8492	Intermediate Similarity	NPC79184
0.8492	Intermediate Similarity	NPC307042
0.8492	Intermediate Similarity	NPC476399
0.8487	Intermediate Similarity	NPC474214
0.8487	Intermediate Similarity	NPC474040
0.8482	Intermediate Similarity	NPC128730
0.848	Intermediate Similarity	NPC474651
0.848	Intermediate Similarity	NPC474623
0.848	Intermediate Similarity	NPC109275
0.8475	Intermediate Similarity	NPC281277
0.8475	Intermediate Similarity	NPC123948
0.8475	Intermediate Similarity	NPC111225
0.8468	Intermediate Similarity	NPC276014
0.8462	Intermediate Similarity	NPC261453
0.8462	Intermediate Similarity	NPC126206
0.8462	Intermediate Similarity	NPC328593
0.8462	Intermediate Similarity	NPC33749
0.8448	Intermediate Similarity	NPC165646
0.8443	Intermediate Similarity	NPC286573
0.8438	Intermediate Similarity	NPC233018
0.8438	Intermediate Similarity	NPC241341
0.8438	Intermediate Similarity	NPC36437
0.8417	Intermediate Similarity	NPC474320
0.8413	Intermediate Similarity	NPC241354
0.8413	Intermediate Similarity	NPC48315
0.8403	Intermediate Similarity	NPC39793
0.84	Intermediate Similarity	NPC276466
0.84	Intermediate Similarity	NPC151167
0.84	Intermediate Similarity	NPC5018
0.84	Intermediate Similarity	NPC123722
0.84	Intermediate Similarity	NPC123228
0.8397	Intermediate Similarity	NPC284409
0.8393	Intermediate Similarity	NPC292792
0.839	Intermediate Similarity	NPC474967
0.839	Intermediate Similarity	NPC233669
0.8387	Intermediate Similarity	NPC280767
0.8385	Intermediate Similarity	NPC230968
0.8385	Intermediate Similarity	NPC471665
0.8385	Intermediate Similarity	NPC102260
0.8385	Intermediate Similarity	NPC471664
0.8376	Intermediate Similarity	NPC95381
0.8362	Intermediate Similarity	NPC55300
0.8361	Intermediate Similarity	NPC216929
0.8361	Intermediate Similarity	NPC126935
0.8361	Intermediate Similarity	NPC57268
0.8361	Intermediate Similarity	NPC147654
0.8361	Intermediate Similarity	NPC312713
0.8361	Intermediate Similarity	NPC65933
0.8361	Intermediate Similarity	NPC172676
0.8359	Intermediate Similarity	NPC137669
0.8347	Intermediate Similarity	NPC344161
0.8333	Intermediate Similarity	NPC106055
0.8333	Intermediate Similarity	NPC205502
0.8333	Intermediate Similarity	NPC203124
0.8333	Intermediate Similarity	NPC289690
0.8333	Intermediate Similarity	NPC227894
0.8333	Intermediate Similarity	NPC309434
0.8333	Intermediate Similarity	NPC288452
0.8333	Intermediate Similarity	NPC110699
0.8333	Intermediate Similarity	NPC470626
0.832	Intermediate Similarity	NPC179777
0.832	Intermediate Similarity	NPC118584
0.832	Intermediate Similarity	NPC84076
0.832	Intermediate Similarity	NPC303680
0.832	Intermediate Similarity	NPC90128
0.8319	Intermediate Similarity	NPC288760
0.8308	Intermediate Similarity	NPC477301
0.8305	Intermediate Similarity	NPC217472
0.8295	Intermediate Similarity	NPC475468
0.8295	Intermediate Similarity	NPC205915
0.8293	Intermediate Similarity	NPC261661
0.8293	Intermediate Similarity	NPC71090
0.8279	Intermediate Similarity	NPC158949
0.8279	Intermediate Similarity	NPC207613
0.8279	Intermediate Similarity	NPC472596
0.8276	Intermediate Similarity	NPC137685
0.8268	Intermediate Similarity	NPC304622
0.8264	Intermediate Similarity	NPC475961
0.8264	Intermediate Similarity	NPC254625
0.8258	Intermediate Similarity	NPC76032
0.8258	Intermediate Similarity	NPC132723
0.8254	Intermediate Similarity	NPC64948
0.825	Intermediate Similarity	NPC293619
0.825	Intermediate Similarity	NPC65791
0.8244	Intermediate Similarity	NPC37468
0.8244	Intermediate Similarity	NPC286843
0.8244	Intermediate Similarity	NPC157554
0.824	Intermediate Similarity	NPC473626
0.824	Intermediate Similarity	NPC300326
0.824	Intermediate Similarity	NPC58279
0.824	Intermediate Similarity	NPC67951
0.8235	Intermediate Similarity	NPC296526
0.8231	Intermediate Similarity	NPC4982
0.8231	Intermediate Similarity	NPC237594
0.8231	Intermediate Similarity	NPC119060
0.8231	Intermediate Similarity	NPC476387
0.8231	Intermediate Similarity	NPC5310
0.8231	Intermediate Similarity	NPC67247
0.8231	Intermediate Similarity	NPC249791
0.8231	Intermediate Similarity	NPC37065
0.8231	Intermediate Similarity	NPC309744
0.8231	Intermediate Similarity	NPC68779
0.8231	Intermediate Similarity	NPC176814
0.8231	Intermediate Similarity	NPC471110
0.8231	Intermediate Similarity	NPC300776
0.823	Intermediate Similarity	NPC2518
0.823	Intermediate Similarity	NPC283546
0.8226	Intermediate Similarity	NPC317769
0.8226	Intermediate Similarity	NPC31344
0.8217	Intermediate Similarity	NPC319969

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC277460 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	195
0.1-0.2	947
0.2-0.3	1261
0.3-0.4	2618
0.4-0.5	2069
0.5-0.6	1149
0.6-0.7	755
0.7-0.8	159
0.8-0.85	3
0.85-0.9	3
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9211	High Similarity	NPD5536	Phase 2
0.9	High Similarity	NPD1358	Approved
0.8739	High Similarity	NPD3134	Approved
0.8696	High Similarity	NPD5283	Phase 1
0.8678	High Similarity	NPD4379	Clinical (unspecified phase)
0.8136	Intermediate Similarity	NPD5535	Approved
0.8115	Intermediate Similarity	NPD5691	Approved
0.8	Intermediate Similarity	NPD2981	Phase 2
0.7967	Intermediate Similarity	NPD5585	Approved
0.7937	Intermediate Similarity	NPD2982	Phase 2
0.7937	Intermediate Similarity	NPD2983	Phase 2
0.792	Intermediate Similarity	NPD3705	Approved
0.7899	Intermediate Similarity	NPD228	Approved
0.784	Intermediate Similarity	NPD3496	Discontinued
0.7823	Intermediate Similarity	NPD1357	Approved
0.7803	Intermediate Similarity	NPD4060	Phase 1
0.777	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7769	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.776	Intermediate Similarity	NPD4626	Approved
0.7744	Intermediate Similarity	NPD1933	Approved
0.771	Intermediate Similarity	NPD7095	Approved
0.771	Intermediate Similarity	NPD3027	Phase 3
0.7692	Intermediate Similarity	NPD3018	Phase 2
0.7692	Intermediate Similarity	NPD9494	Approved
0.7692	Intermediate Similarity	NPD9697	Approved
0.7681	Intermediate Similarity	NPD4110	Phase 3
0.7681	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7656	Intermediate Similarity	NPD4359	Approved
0.7647	Intermediate Similarity	NPD2684	Approved
0.7639	Intermediate Similarity	NPD6385	Approved
0.7639	Intermediate Similarity	NPD6386	Approved
0.7623	Intermediate Similarity	NPD1241	Discontinued
0.7606	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7597	Intermediate Similarity	NPD2922	Phase 1
0.7591	Intermediate Similarity	NPD7266	Discontinued
0.7559	Intermediate Similarity	NPD3847	Discontinued
0.7556	Intermediate Similarity	NPD2653	Approved
0.7556	Intermediate Similarity	NPD2492	Phase 1
0.7541	Intermediate Similarity	NPD7843	Approved
0.7537	Intermediate Similarity	NPD2979	Phase 3
0.7519	Intermediate Similarity	NPD6798	Discontinued
0.7519	Intermediate Similarity	NPD5109	Approved
0.7519	Intermediate Similarity	NPD5111	Phase 2
0.7519	Intermediate Similarity	NPD5110	Phase 2
0.7518	Intermediate Similarity	NPD2438	Suspended
0.75	Intermediate Similarity	NPD7157	Approved
0.75	Intermediate Similarity	NPD1281	Approved
0.75	Intermediate Similarity	NPD6832	Phase 2
0.7481	Intermediate Similarity	NPD4340	Discontinued
0.7481	Intermediate Similarity	NPD6355	Discontinued
0.7481	Intermediate Similarity	NPD447	Suspended
0.7481	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7463	Intermediate Similarity	NPD4062	Phase 3
0.7463	Intermediate Similarity	NPD6233	Phase 2
0.746	Intermediate Similarity	NPD1894	Discontinued
0.7438	Intermediate Similarity	NPD5451	Approved
0.7429	Intermediate Similarity	NPD4628	Phase 3
0.7402	Intermediate Similarity	NPD1651	Approved
0.7397	Intermediate Similarity	NPD6873	Phase 2
0.7394	Intermediate Similarity	NPD4357	Discontinued
0.7391	Intermediate Similarity	NPD2935	Discontinued
0.7388	Intermediate Similarity	NPD5718	Phase 2
0.7365	Intermediate Similarity	NPD3817	Phase 2
0.7364	Intermediate Similarity	NPD1611	Approved
0.7344	Intermediate Similarity	NPD1778	Approved
0.7344	Intermediate Similarity	NPD17	Approved
0.7333	Intermediate Similarity	NPD1726	Clinical (unspecified phase)
0.7328	Intermediate Similarity	NPD1283	Approved
0.7319	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7319	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD1653	Approved
0.7308	Intermediate Similarity	NPD3972	Approved
0.7295	Intermediate Similarity	NPD3021	Approved
0.7295	Intermediate Similarity	NPD3022	Approved
0.7292	Intermediate Similarity	NPD7314	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD4140	Approved
0.7266	Intermediate Similarity	NPD2531	Phase 2
0.7266	Intermediate Similarity	NPD6032	Approved
0.7259	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD3887	Approved
0.7254	Intermediate Similarity	NPD6190	Approved
0.7246	Intermediate Similarity	NPD6895	Approved
0.7246	Intermediate Similarity	NPD6896	Approved
0.7234	Intermediate Similarity	NPD4162	Approved
0.7226	Intermediate Similarity	NPD3657	Discovery
0.7222	Intermediate Similarity	NPD3146	Approved
0.7222	Intermediate Similarity	NPD3688	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD6516	Phase 2
0.7209	Intermediate Similarity	NPD2423	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD5846	Approved
0.7206	Intermediate Similarity	NPD4870	Approved
0.7197	Intermediate Similarity	NPD1876	Approved
0.7194	Intermediate Similarity	NPD2799	Discontinued
0.719	Intermediate Similarity	NPD968	Approved
0.7188	Intermediate Similarity	NPD1182	Approved
0.7185	Intermediate Similarity	NPD5163	Phase 2
0.7183	Intermediate Similarity	NPD8166	Discontinued
0.7183	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD5563	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD1608	Approved
0.7172	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD3647	Clinical (unspecified phase)
0.7165	Intermediate Similarity	NPD3596	Phase 2
0.7153	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD6799	Approved
0.7153	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD1613	Approved
0.7153	Intermediate Similarity	NPD5297	Approved
0.7153	Intermediate Similarity	NPD3620	Phase 2
0.7143	Intermediate Similarity	NPD3267	Approved
0.7143	Intermediate Similarity	NPD2797	Approved
0.7143	Intermediate Similarity	NPD3539	Phase 1
0.7143	Intermediate Similarity	NPD3455	Phase 2
0.7143	Intermediate Similarity	NPD291	Approved
0.7143	Intermediate Similarity	NPD3266	Approved
0.7143	Intermediate Similarity	NPD5242	Approved
0.7133	Intermediate Similarity	NPD5353	Approved
0.7133	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD3374	Clinical (unspecified phase)
0.7131	Intermediate Similarity	NPD290	Approved
0.7124	Intermediate Similarity	NPD8127	Discontinued
0.7122	Intermediate Similarity	NPD7097	Phase 1
0.7121	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7121	Intermediate Similarity	NPD5327	Phase 3
0.7113	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD4236	Phase 3
0.7113	Intermediate Similarity	NPD4237	Approved
0.7113	Intermediate Similarity	NPD3060	Approved
0.7111	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD230	Phase 1
0.7099	Intermediate Similarity	NPD422	Phase 1
0.7099	Intermediate Similarity	NPD1535	Discovery
0.7092	Intermediate Similarity	NPD3540	Phase 1
0.7092	Intermediate Similarity	NPD5762	Approved
0.7092	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7092	Intermediate Similarity	NPD5763	Approved
0.7092	Intermediate Similarity	NPD2353	Approved
0.709	Intermediate Similarity	NPD6584	Phase 3
0.7086	Intermediate Similarity	NPD3882	Suspended
0.7086	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD8032	Phase 2
0.7075	Intermediate Similarity	NPD3686	Approved
0.7075	Intermediate Similarity	NPD3687	Approved
0.7068	Intermediate Similarity	NPD3225	Approved
0.7063	Intermediate Similarity	NPD6331	Phase 2
0.7055	Intermediate Similarity	NPD6273	Approved
0.7054	Intermediate Similarity	NPD6580	Approved
0.7054	Intermediate Similarity	NPD6581	Approved
0.7054	Intermediate Similarity	NPD9545	Approved
0.705	Intermediate Similarity	NPD6653	Approved
0.705	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD1481	Phase 2
0.7042	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.7042	Intermediate Similarity	NPD4534	Discontinued
0.7037	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD1558	Phase 1
0.7029	Intermediate Similarity	NPD4307	Phase 2
0.7027	Intermediate Similarity	NPD3866	Clinical (unspecified phase)
0.7015	Intermediate Similarity	NPD1203	Approved
0.7013	Intermediate Similarity	NPD2821	Approved
0.7007	Intermediate Similarity	NPD3145	Approved
0.7007	Intermediate Similarity	NPD3268	Approved
0.7007	Intermediate Similarity	NPD3144	Approved
0.7	Intermediate Similarity	NPD7945	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD37	Approved
0.7	Intermediate Similarity	NPD1934	Approved
0.7	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD919	Approved
0.6986	Remote Similarity	NPD4123	Phase 3
0.6985	Remote Similarity	NPD2614	Approved
0.6984	Remote Similarity	NPD821	Approved
0.698	Remote Similarity	NPD7028	Phase 2
0.6975	Remote Similarity	NPD1238	Approved
0.6974	Remote Similarity	NPD4965	Approved
0.6974	Remote Similarity	NPD4966	Approved
0.6974	Remote Similarity	NPD4967	Phase 2
0.6972	Remote Similarity	NPD1375	Discontinued
0.6972	Remote Similarity	NPD3656	Approved
0.697	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD6783	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD2798	Approved
0.6963	Remote Similarity	NPD1019	Discontinued
0.6962	Remote Similarity	NPD5844	Phase 1
0.6957	Remote Similarity	NPD3532	Approved
0.6957	Remote Similarity	NPD3530	Approved
0.6957	Remote Similarity	NPD3531	Approved
0.6957	Remote Similarity	NPD2674	Phase 3
0.6954	Remote Similarity	NPD1006	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD2801	Approved
0.6953	Remote Similarity	NPD6671	Approved
0.6953	Remote Similarity	NPD709	Approved
0.6953	Remote Similarity	NPD2557	Approved
0.695	Remote Similarity	NPD3748	Approved
0.6948	Remote Similarity	NPD5494	Approved
0.6947	Remote Similarity	NPD2107	Clinical (unspecified phase)
0.6934	Remote Similarity	NPD5746	Approved
0.6934	Remote Similarity	NPD2669	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD9296	Approved
0.6923	Remote Similarity	NPD2933	Approved
0.6923	Remote Similarity	NPD2030	Discontinued

Structure

CID277460 OpenBabel06191716082D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.7321 1.0000 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 9.5263 -0.5000 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 8.6603 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -1.5000 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 7.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 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 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -2.0000 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 -1.5000 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 -0.8660 -0.5000 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 3.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 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 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 6 14 1 0 0 0 0 7 16 2 0 0 0 0 8 16 1 0 0 0 0 9 16 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 20 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	7966138
ChEMBL	CHEMBL1095904
ZINC

Physicochemical Properties

Molecular Weight:	324.14
ALogP:	0.6458
MLogP:	3.22
XLogP:	6.378
# Rotatable Bonds:	10
Polar Surface Area:	44.76
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	2
# Heavy Atoms:	24

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