NPASS Natural Product

Natural Product: NPC123476

Natural Product ID:	NPC123476
Common Name:	(E,E)-5-Hydroxy-1,7-Diphenyl-4,6-Heptadien-3-One
IUPAC Name:	(4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one
Synonyms:
Molecular Formula:	C19H18O2
Standard InCHIKey:	MJCANANSGRMBIC-COWYBJPUSA-N
Standard InCHI:	InChI=1S/C19H18O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,15,20H,12,14H2/b13-11+,18-15+
Canonical SMILES:	O=C(/C=C(C=Cc1ccccc1)/O)CCc1ccccc1
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO10494	Alpinia katsumadai	Species	Staphylinidae	Eukaryota				PMID[20014777]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1602	Individual Protein	Neuraminidase	Influenza A virus (A/Puerto Rico/8/1934(H1N1))	IC50	=	4670	nM	10.6019/CHEMBL1201861

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 NPC123476 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	113
0.1-0.2	1076
0.2-0.3	2088
0.3-0.4	8081
0.4-0.5	9897
0.5-0.6	7835
0.6-0.7	1544
0.7-0.8	224
0.8-0.85	23
0.85-0.9	6
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9	High Similarity	NPC139901
0.9	High Similarity	NPC151405
0.8765	High Similarity	NPC272260
0.875	High Similarity	NPC9796
0.8571	High Similarity	NPC289201
0.8519	High Similarity	NPC179726
0.8506	High Similarity	NPC477693
0.8506	High Similarity	NPC477704
0.8434	Intermediate Similarity	NPC71664
0.8434	Intermediate Similarity	NPC95868
0.8391	Intermediate Similarity	NPC194326
0.8391	Intermediate Similarity	NPC69057
0.8353	Intermediate Similarity	NPC273758
0.8352	Intermediate Similarity	NPC206764
0.8333	Intermediate Similarity	NPC12936
0.8333	Intermediate Similarity	NPC273033
0.8242	Intermediate Similarity	NPC34243
0.8214	Intermediate Similarity	NPC477703
0.8125	Intermediate Similarity	NPC74458
0.8095	Intermediate Similarity	NPC300205
0.8072	Intermediate Similarity	NPC245966
0.8061	Intermediate Similarity	NPC69332
0.8061	Intermediate Similarity	NPC95178
0.8061	Intermediate Similarity	NPC29989
0.8061	Intermediate Similarity	NPC70843
0.8025	Intermediate Similarity	NPC285679
0.8022	Intermediate Similarity	NPC141607
0.8022	Intermediate Similarity	NPC187725
0.8	Intermediate Similarity	NPC17408
0.8	Intermediate Similarity	NPC285716
0.8	Intermediate Similarity	NPC164086
0.7976	Intermediate Similarity	NPC285470
0.7976	Intermediate Similarity	NPC2785
0.7976	Intermediate Similarity	NPC36342
0.7935	Intermediate Similarity	NPC77273
0.7895	Intermediate Similarity	NPC317280
0.7895	Intermediate Similarity	NPC329387
0.7895	Intermediate Similarity	NPC179411
0.7857	Intermediate Similarity	NPC8931
0.7857	Intermediate Similarity	NPC261573
0.7857	Intermediate Similarity	NPC120693
0.7831	Intermediate Similarity	NPC206800
0.7831	Intermediate Similarity	NPC32203
0.7822	Intermediate Similarity	NPC88141
0.7812	Intermediate Similarity	NPC474308
0.7802	Intermediate Similarity	NPC231591
0.7791	Intermediate Similarity	NPC190567
0.7789	Intermediate Similarity	NPC103048
0.7789	Intermediate Similarity	NPC278228
0.7789	Intermediate Similarity	NPC240042
0.7765	Intermediate Similarity	NPC137847
0.7765	Intermediate Similarity	NPC76455
0.7765	Intermediate Similarity	NPC103488
0.7745	Intermediate Similarity	NPC116842
0.7742	Intermediate Similarity	NPC59677
0.7727	Intermediate Similarity	NPC44830
0.7727	Intermediate Similarity	NPC215008
0.7717	Intermediate Similarity	NPC303967
0.7717	Intermediate Similarity	NPC67585
0.7717	Intermediate Similarity	NPC110420
0.7717	Intermediate Similarity	NPC19256
0.7708	Intermediate Similarity	NPC476120
0.7701	Intermediate Similarity	NPC145053
0.7701	Intermediate Similarity	NPC73978
0.77	Intermediate Similarity	NPC188677
0.7692	Intermediate Similarity	NPC267262
0.7684	Intermediate Similarity	NPC12695
0.7677	Intermediate Similarity	NPC249067
0.767	Intermediate Similarity	NPC474689
0.7654	Intermediate Similarity	NPC98880
0.7647	Intermediate Similarity	NPC329318
0.7634	Intermediate Similarity	NPC284475
0.7629	Intermediate Similarity	NPC54647
0.7624	Intermediate Similarity	NPC156648
0.7624	Intermediate Similarity	NPC141523
0.7614	Intermediate Similarity	NPC283012
0.7614	Intermediate Similarity	NPC475199
0.7609	Intermediate Similarity	NPC418308
0.7609	Intermediate Similarity	NPC113307
0.759	Intermediate Similarity	NPC271437
0.7586	Intermediate Similarity	NPC127343
0.7582	Intermediate Similarity	NPC43945
0.7576	Intermediate Similarity	NPC68269
0.7573	Intermediate Similarity	NPC21162
0.7561	Intermediate Similarity	NPC95289
0.7558	Intermediate Similarity	NPC50192
0.7556	Intermediate Similarity	NPC53299
0.7556	Intermediate Similarity	NPC99482
0.7556	Intermediate Similarity	NPC95965
0.7553	Intermediate Similarity	NPC153885
0.7553	Intermediate Similarity	NPC1682
0.7553	Intermediate Similarity	NPC188844
0.7553	Intermediate Similarity	NPC155232
0.7549	Intermediate Similarity	NPC281604
0.7549	Intermediate Similarity	NPC17525
0.7549	Intermediate Similarity	NPC475282
0.7531	Intermediate Similarity	NPC311343
0.7528	Intermediate Similarity	NPC243289
0.7528	Intermediate Similarity	NPC208183
0.7527	Intermediate Similarity	NPC26224
0.7527	Intermediate Similarity	NPC277277
0.7526	Intermediate Similarity	NPC201967
0.7526	Intermediate Similarity	NPC49994
0.75	Intermediate Similarity	NPC157778
0.75	Intermediate Similarity	NPC208075
0.7474	Intermediate Similarity	NPC238219
0.7474	Intermediate Similarity	NPC289883
0.7453	Intermediate Similarity	NPC285350
0.7449	Intermediate Similarity	NPC130193
0.7447	Intermediate Similarity	NPC476484
0.7447	Intermediate Similarity	NPC133461
0.7444	Intermediate Similarity	NPC44546
0.7423	Intermediate Similarity	NPC270654
0.7423	Intermediate Similarity	NPC239185
0.7419	Intermediate Similarity	NPC298115
0.7419	Intermediate Similarity	NPC9822
0.7404	Intermediate Similarity	NPC321252
0.7404	Intermediate Similarity	NPC252544
0.74	Intermediate Similarity	NPC329556
0.74	Intermediate Similarity	NPC255676
0.7396	Intermediate Similarity	NPC472880
0.7396	Intermediate Similarity	NPC473347
0.7396	Intermediate Similarity	NPC260233
0.7383	Intermediate Similarity	NPC322197
0.7383	Intermediate Similarity	NPC23402
0.7368	Intermediate Similarity	NPC323420
0.7347	Intermediate Similarity	NPC260000
0.7347	Intermediate Similarity	NPC145052
0.7347	Intermediate Similarity	NPC134882
0.7342	Intermediate Similarity	NPC22786
0.734	Intermediate Similarity	NPC173413
0.7333	Intermediate Similarity	NPC285773
0.7333	Intermediate Similarity	NPC268388
0.7333	Intermediate Similarity	NPC177576
0.7333	Intermediate Similarity	NPC324624
0.7327	Intermediate Similarity	NPC269644
0.732	Intermediate Similarity	NPC219573
0.732	Intermediate Similarity	NPC185208
0.7317	Intermediate Similarity	NPC82770
0.7317	Intermediate Similarity	NPC239931
0.7317	Intermediate Similarity	NPC78954
0.7315	Intermediate Similarity	NPC299252
0.7315	Intermediate Similarity	NPC277394
0.7315	Intermediate Similarity	NPC61062
0.7315	Intermediate Similarity	NPC19290
0.7303	Intermediate Similarity	NPC242628
0.7303	Intermediate Similarity	NPC71795
0.73	Intermediate Similarity	NPC25458
0.7292	Intermediate Similarity	NPC261181
0.7283	Intermediate Similarity	NPC307
0.7283	Intermediate Similarity	NPC160339
0.7282	Intermediate Similarity	NPC20485
0.7282	Intermediate Similarity	NPC211439
0.7273	Intermediate Similarity	NPC476042
0.7273	Intermediate Similarity	NPC469894
0.7273	Intermediate Similarity	NPC280869
0.7264	Intermediate Similarity	NPC286222
0.7263	Intermediate Similarity	NPC110704
0.7262	Intermediate Similarity	NPC155429
0.7255	Intermediate Similarity	NPC134120
0.7255	Intermediate Similarity	NPC105899
0.7245	Intermediate Similarity	NPC265220
0.7245	Intermediate Similarity	NPC156021
0.7241	Intermediate Similarity	NPC298023
0.7238	Intermediate Similarity	NPC222905
0.7234	Intermediate Similarity	NPC325709
0.7228	Intermediate Similarity	NPC135784
0.7228	Intermediate Similarity	NPC247976
0.7222	Intermediate Similarity	NPC73637
0.7222	Intermediate Similarity	NPC99240
0.7222	Intermediate Similarity	NPC121478
0.72	Intermediate Similarity	NPC476993
0.72	Intermediate Similarity	NPC472879
0.72	Intermediate Similarity	NPC109514
0.7191	Intermediate Similarity	NPC157055
0.7191	Intermediate Similarity	NPC184030
0.7191	Intermediate Similarity	NPC164449
0.7184	Intermediate Similarity	NPC51174
0.7184	Intermediate Similarity	NPC6984
0.7184	Intermediate Similarity	NPC45033
0.7182	Intermediate Similarity	NPC249435
0.7172	Intermediate Similarity	NPC75724
0.7172	Intermediate Similarity	NPC135951
0.7172	Intermediate Similarity	NPC154517
0.7172	Intermediate Similarity	NPC229242
0.7158	Intermediate Similarity	NPC108026
0.7158	Intermediate Similarity	NPC62765
0.7158	Intermediate Similarity	NPC213156
0.7158	Intermediate Similarity	NPC240108
0.7157	Intermediate Similarity	NPC329282
0.7143	Intermediate Similarity	NPC95172
0.7143	Intermediate Similarity	NPC39600
0.7143	Intermediate Similarity	NPC197581
0.7129	Intermediate Similarity	NPC472585
0.7129	Intermediate Similarity	NPC244427
0.7129	Intermediate Similarity	NPC222390
0.7126	Intermediate Similarity	NPC78500
0.7117	Intermediate Similarity	NPC188814
0.7117	Intermediate Similarity	NPC195262
0.7115	Intermediate Similarity	NPC226699

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC123476 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	118
0.1-0.2	981
0.2-0.3	909
0.3-0.4	2938
0.4-0.5	2619
0.5-0.6	1319
0.6-0.7	229
0.7-0.8	44
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8434	Intermediate Similarity	NPD1507	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD942	Approved
0.814	Intermediate Similarity	NPD3971	Phase 1
0.8041	Intermediate Similarity	NPD5909	Discontinued
0.7849	Intermediate Similarity	NPD5122	Clinical (unspecified phase)
0.7831	Intermediate Similarity	NPD9716	Approved
0.7677	Intermediate Similarity	NPD1237	Approved
0.7634	Intermediate Similarity	NPD7609	Phase 3
0.7629	Intermediate Similarity	NPD2066	Phase 3
0.7582	Intermediate Similarity	NPD650	Approved
0.7556	Intermediate Similarity	NPD5734	Clinical (unspecified phase)
0.7553	Intermediate Similarity	NPD7631	Approved
0.7553	Intermediate Similarity	NPD1508	Approved
0.75	Intermediate Similarity	NPD226	Approved
0.7475	Intermediate Similarity	NPD1932	Approved
0.7423	Intermediate Similarity	NPD3495	Discontinued
0.74	Intermediate Similarity	NPD1929	Approved
0.74	Intermediate Similarity	NPD1930	Approved
0.74	Intermediate Similarity	NPD1931	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD4793	Discontinued
0.7356	Intermediate Similarity	NPD225	Approved
0.7356	Intermediate Similarity	NPD227	Approved
0.7333	Intermediate Similarity	NPD9491	Approved
0.732	Intermediate Similarity	NPD5206	Clinical (unspecified phase)
0.732	Intermediate Similarity	NPD1843	Approved
0.7292	Intermediate Similarity	NPD1202	Approved
0.7263	Intermediate Similarity	NPD1239	Approved
0.7255	Intermediate Similarity	NPD5048	Discontinued
0.7234	Intermediate Similarity	NPD5347	Phase 2
0.7234	Intermediate Similarity	NPD5346	Phase 2
0.7228	Intermediate Similarity	NPD6647	Phase 2
0.7216	Intermediate Similarity	NPD4094	Approved
0.7216	Intermediate Similarity	NPD6049	Phase 2
0.7216	Intermediate Similarity	NPD6048	Clinical (unspecified phase)
0.7204	Intermediate Similarity	NPD506	Clinical (unspecified phase)
0.7158	Intermediate Similarity	NPD9256	Approved
0.7158	Intermediate Similarity	NPD9258	Approved
0.7079	Intermediate Similarity	NPD9490	Approved
0.7071	Intermediate Similarity	NPD4657	Approved
0.7071	Intermediate Similarity	NPD4655	Approved
0.7053	Intermediate Similarity	NPD800	Approved
0.7048	Intermediate Similarity	NPD2329	Discontinued
0.7048	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD688	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD1693	Approved
0.7041	Intermediate Similarity	NPD2933	Approved
0.7041	Intermediate Similarity	NPD2934	Approved
0.7	Intermediate Similarity	NPD9495	Approved
0.6979	Remote Similarity	NPD1089	Approved
0.6979	Remote Similarity	NPD1086	Approved
0.6979	Remote Similarity	NPD1090	Approved
0.6972	Remote Similarity	NPD5951	Approved
0.697	Remote Similarity	NPD2859	Approved
0.697	Remote Similarity	NPD1989	Approved
0.697	Remote Similarity	NPD2860	Approved
0.6931	Remote Similarity	NPD1238	Approved
0.6931	Remote Similarity	NPD7798	Approved
0.6915	Remote Similarity	NPD9257	Approved
0.6915	Remote Similarity	NPD9259	Approved
0.69	Remote Similarity	NPD1566	Phase 3
0.69	Remote Similarity	NPD1565	Approved
0.69	Remote Similarity	NPD1564	Approved
0.687	Remote Similarity	NPD4878	Approved
0.6842	Remote Similarity	NPD1087	Approved
0.6842	Remote Similarity	NPD1282	Approved
0.6837	Remote Similarity	NPD1088	Approved
0.6832	Remote Similarity	NPD5926	Approved
0.6829	Remote Similarity	NPD675	Discontinued
0.6804	Remote Similarity	NPD3673	Approved
0.6804	Remote Similarity	NPD3672	Approved
0.6796	Remote Similarity	NPD2648	Phase 3
0.6796	Remote Similarity	NPD2193	Phase 2
0.6796	Remote Similarity	NPD6024	Approved
0.6796	Remote Similarity	NPD2171	Approved
0.6796	Remote Similarity	NPD6027	Approved
0.6768	Remote Similarity	NPD1563	Approved
0.6765	Remote Similarity	NPD3020	Approved
0.6759	Remote Similarity	NPD4141	Clinical (unspecified phase)
0.6733	Remote Similarity	NPD1100	Approved
0.6733	Remote Similarity	NPD1099	Approved
0.6731	Remote Similarity	NPD3357	Discontinued
0.6731	Remote Similarity	NPD5738	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD689	Discontinued
0.6667	Remote Similarity	NPD2577	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5157	Phase 1
0.6667	Remote Similarity	NPD2629	Approved
0.6667	Remote Similarity	NPD2067	Discontinued
0.6667	Remote Similarity	NPD5159	Phase 2
0.6667	Remote Similarity	NPD5158	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6638	Remote Similarity	NPD1201	Approved
0.6635	Remote Similarity	NPD2196	Discontinued
0.6609	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD3019	Approved
0.6609	Remote Similarity	NPD2932	Approved
0.6602	Remote Similarity	NPD3097	Clinical (unspecified phase)
0.6555	Remote Similarity	NPD2797	Approved
0.6552	Remote Similarity	NPD4879	Approved
0.6549	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6545	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD3135	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD4102	Approved
0.6522	Remote Similarity	NPD4105	Approved
0.6514	Remote Similarity	NPD1317	Discontinued
0.6514	Remote Similarity	NPD664	Approved
0.65	Remote Similarity	NPD2798	Approved
0.65	Remote Similarity	NPD4980	Approved
0.6491	Remote Similarity	NPD7610	Discontinued
0.6486	Remote Similarity	NPD5277	Phase 2
0.6486	Remote Similarity	NPD6858	Approved
0.6486	Remote Similarity	NPD7094	Approved
0.6484	Remote Similarity	NPD9294	Approved
0.6481	Remote Similarity	NPD9263	Approved
0.6481	Remote Similarity	NPD9267	Approved
0.6481	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6481	Remote Similarity	NPD9264	Approved
0.6471	Remote Similarity	NPD6330	Clinical (unspecified phase)
0.6455	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6449	Remote Similarity	NPD2197	Approved
0.6449	Remote Similarity	NPD2192	Approved
0.6441	Remote Similarity	NPD3972	Approved
0.6437	Remote Similarity	NPD9497	Clinical (unspecified phase)
0.6435	Remote Similarity	NPD1894	Discontinued
0.6435	Remote Similarity	NPD7009	Phase 2
0.6429	Remote Similarity	NPD1241	Discontinued
0.6423	Remote Similarity	NPD3268	Approved
0.6422	Remote Similarity	NPD9266	Approved
0.6422	Remote Similarity	NPD2182	Approved
0.6422	Remote Similarity	NPD74	Approved
0.6417	Remote Similarity	NPD1470	Approved
0.641	Remote Similarity	NPD4106	Approved
0.641	Remote Similarity	NPD4136	Approved
0.641	Remote Similarity	NPD4135	Approved
0.6408	Remote Similarity	NPD9566	Approved
0.64	Remote Similarity	NPD1007	Discontinued
0.6381	Remote Similarity	NPD3028	Approved
0.6373	Remote Similarity	NPD9260	Approved
0.6364	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6356	Remote Similarity	NPD6287	Discontinued
0.6355	Remote Similarity	NPD164	Approved
0.6346	Remote Similarity	NPD253	Approved
0.6325	Remote Similarity	NPD5306	Approved
0.6325	Remote Similarity	NPD2345	Approved
0.6325	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.6325	Remote Similarity	NPD5305	Approved
0.6316	Remote Similarity	NPD3317	Approved
0.6306	Remote Similarity	NPD3642	Approved
0.6306	Remote Similarity	NPD3644	Approved
0.6306	Remote Similarity	NPD3643	Approved
0.6304	Remote Similarity	NPD4147	Approved
0.6304	Remote Similarity	NPD4144	Approved
0.6296	Remote Similarity	NPD1677	Discontinued
0.6289	Remote Similarity	NPD111	Approved
0.6283	Remote Similarity	NPD7076	Approved
0.6283	Remote Similarity	NPD6010	Discontinued
0.6283	Remote Similarity	NPD7077	Approved
0.6281	Remote Similarity	NPD1164	Approved
0.6275	Remote Similarity	NPD845	Approved
0.6275	Remote Similarity	NPD1066	Discontinued
0.6271	Remote Similarity	NPD3023	Approved
0.6271	Remote Similarity	NPD3026	Approved
0.6262	Remote Similarity	NPD9261	Approved
0.6262	Remote Similarity	NPD4658	Approved
0.6262	Remote Similarity	NPD4656	Approved
0.6262	Remote Similarity	NPD5765	Approved
0.6262	Remote Similarity	NPD5700	Clinical (unspecified phase)
0.6261	Remote Similarity	NPD4431	Clinical (unspecified phase)
0.6261	Remote Similarity	NPD9493	Approved
0.625	Remote Similarity	NPD9508	Approved
0.625	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6239	Remote Similarity	NPD3025	Approved
0.6239	Remote Similarity	NPD1651	Approved
0.6239	Remote Similarity	NPD3024	Approved
0.623	Remote Similarity	NPD2788	Approved
0.6228	Remote Similarity	NPD1246	Approved
0.6226	Remote Similarity	NPD1242	Phase 1
0.6218	Remote Similarity	NPD4807	Approved
0.6218	Remote Similarity	NPD4806	Approved
0.6218	Remote Similarity	NPD1535	Discovery
0.6218	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6216	Remote Similarity	NPD5278	Discontinued
0.6216	Remote Similarity	NPD3022	Approved
0.6216	Remote Similarity	NPD3021	Approved
0.6214	Remote Similarity	NPD1432	Clinical (unspecified phase)
0.621	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.621	Remote Similarity	NPD7008	Discontinued
0.6207	Remote Similarity	NPD5536	Phase 2
0.6207	Remote Similarity	NPD2347	Approved
0.6207	Remote Similarity	NPD1758	Phase 1
0.62	Remote Similarity	NPD1629	Approved
0.62	Remote Similarity	NPD1628	Approved
0.6198	Remote Similarity	NPD1876	Approved
0.619	Remote Similarity	NPD4452	Approved
0.619	Remote Similarity	NPD4445	Approved
0.619	Remote Similarity	NPD4453	Approved
0.6186	Remote Similarity	NPD4733	Approved
0.6186	Remote Similarity	NPD5836	Discontinued
0.6186	Remote Similarity	NPD1727	Approved
0.6174	Remote Similarity	NPD255	Approved

Structure

NPC123476 OpenBabel07101719152D 21 22 0 0 0 0 0 0 0 0999 V2000 -6.9282 2.0000 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 -6.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 3.0000 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 0.8660 -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 -6.0622 3.5000 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 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 3.5000 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 -3.4641 3.0000 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 -1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 3.0000 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 -2.5981 3.5000 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 -2.5981 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 16 2 0 0 0 0 8 16 1 0 0 0 0 9 17 2 0 0 0 0 10 17 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	45483921
ChEMBL	CHEMBL566790
ZINC

Physicochemical Properties

Molecular Weight:	278.13
ALogP:	0.0992
MLogP:	3.33
XLogP:	8.086
# Rotatable Bonds:	7
Polar Surface Area:	37.3
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	21

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