NPASS Natural Product

Natural Product: NPC35933

Natural Product ID:	NPC35933
Common Name:	6Beta,7Alpha-Diacetoxylabda-8,13E-Dien-15-Ol
IUPAC Name:	[(1S,2S,4aS,8aS)-2-acetyloxy-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-yl] acetate
Synonyms:
Molecular Formula:	C24H38O5
Standard InCHIKey:	QQJGTXJPLKSUKT-DZBWUNPXSA-N
Standard InCHI:	InChI=1S/C24H38O5/c1-15(11-14-25)9-10-19-16(2)20(28-17(3)26)21(29-18(4)27)22-23(5,6)12-8-13-24(19,22)7/h11,20-22,25H,8-10,12-14H2,1-7H3/b15-11+/t20-,21+,22-,24+/m0/s1
Canonical SMILES:	OC/C=C(/CCC1=C(C)[C@H](OC(=O)C)[C@H]([C@@H]2[C@]1(C)CCCC2(C)C)OC(=O)C)C
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
NPO26696	Trimusculus costatus	Species	Trimusculidae	Eukaryota		South African		PMID[18288809]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	25000	nM	26653328

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 NPC35933 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	115
0.1-0.2	724
0.2-0.3	2739
0.3-0.4	5662
0.4-0.5	10550
0.5-0.6	4553
0.6-0.7	4623
0.7-0.8	1798
0.8-0.85	103
0.85-0.9	17
0.9-0.95	4
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9518	High Similarity	NPC246028
0.9494	High Similarity	NPC25554
0.9059	High Similarity	NPC20946
0.9048	High Similarity	NPC131329
0.9	High Similarity	NPC242767
0.8902	High Similarity	NPC256112
0.8864	High Similarity	NPC472416
0.8864	High Similarity	NPC472360
0.8824	High Similarity	NPC245004
0.8824	High Similarity	NPC166857
0.875	High Similarity	NPC53555
0.8736	High Similarity	NPC78973
0.8675	High Similarity	NPC471218
0.8667	High Similarity	NPC284194
0.8667	High Similarity	NPC471765
0.8667	High Similarity	NPC211810
0.8667	High Similarity	NPC221801
0.8571	High Similarity	NPC23748
0.8571	High Similarity	NPC473244
0.8571	High Similarity	NPC49208
0.8554	High Similarity	NPC170303
0.8523	High Similarity	NPC220216
0.8462	Intermediate Similarity	NPC88009
0.8434	Intermediate Similarity	NPC233332
0.8427	Intermediate Similarity	NPC177641
0.8427	Intermediate Similarity	NPC124374
0.8427	Intermediate Similarity	NPC477574
0.8409	Intermediate Similarity	NPC261320
0.8387	Intermediate Similarity	NPC473510
0.8387	Intermediate Similarity	NPC38855
0.837	Intermediate Similarity	NPC210337
0.8353	Intermediate Similarity	NPC476927
0.8333	Intermediate Similarity	NPC142163
0.8333	Intermediate Similarity	NPC99653
0.8333	Intermediate Similarity	NPC159148
0.8298	Intermediate Similarity	NPC475617
0.8293	Intermediate Similarity	NPC283619
0.828	Intermediate Similarity	NPC247233
0.8276	Intermediate Similarity	NPC475069
0.8276	Intermediate Similarity	NPC175145
0.8276	Intermediate Similarity	NPC473226
0.8276	Intermediate Similarity	NPC329692
0.8276	Intermediate Similarity	NPC474970
0.8276	Intermediate Similarity	NPC131813
0.8256	Intermediate Similarity	NPC102048
0.8256	Intermediate Similarity	NPC306951
0.8242	Intermediate Similarity	NPC105375
0.8242	Intermediate Similarity	NPC182826
0.8242	Intermediate Similarity	NPC474922
0.8235	Intermediate Similarity	NPC471408
0.8235	Intermediate Similarity	NPC2524
0.8229	Intermediate Similarity	NPC473543
0.8222	Intermediate Similarity	NPC234335
0.8222	Intermediate Similarity	NPC329842
0.8222	Intermediate Similarity	NPC472811
0.8214	Intermediate Similarity	NPC469802
0.8214	Intermediate Similarity	NPC281880
0.8211	Intermediate Similarity	NPC475344
0.8211	Intermediate Similarity	NPC476471
0.8202	Intermediate Similarity	NPC82876
0.8202	Intermediate Similarity	NPC16265
0.8202	Intermediate Similarity	NPC314727
0.8202	Intermediate Similarity	NPC473647
0.8191	Intermediate Similarity	NPC474190
0.8191	Intermediate Similarity	NPC230546
0.8182	Intermediate Similarity	NPC471779
0.8172	Intermediate Similarity	NPC254496
0.8172	Intermediate Similarity	NPC73911
0.8161	Intermediate Similarity	NPC474013
0.8161	Intermediate Similarity	NPC109528
0.8152	Intermediate Similarity	NPC276110
0.814	Intermediate Similarity	NPC42476
0.8132	Intermediate Similarity	NPC472812
0.8125	Intermediate Similarity	NPC474124
0.8125	Intermediate Similarity	NPC473523
0.8118	Intermediate Similarity	NPC475944
0.8111	Intermediate Similarity	NPC48732
0.8111	Intermediate Similarity	NPC221111
0.8111	Intermediate Similarity	NPC280149
0.8105	Intermediate Similarity	NPC472554
0.8105	Intermediate Similarity	NPC303559
0.8105	Intermediate Similarity	NPC473160
0.8095	Intermediate Similarity	NPC100906
0.809	Intermediate Similarity	NPC473879
0.8085	Intermediate Similarity	NPC159763
0.8085	Intermediate Similarity	NPC124512
0.8085	Intermediate Similarity	NPC278386
0.8072	Intermediate Similarity	NPC40049
0.8068	Intermediate Similarity	NPC286153
0.8068	Intermediate Similarity	NPC102996
0.8065	Intermediate Similarity	NPC473153
0.8065	Intermediate Similarity	NPC276103
0.8065	Intermediate Similarity	NPC54248
0.8065	Intermediate Similarity	NPC190713
0.8065	Intermediate Similarity	NPC57664
0.8065	Intermediate Similarity	NPC129569
0.8046	Intermediate Similarity	NPC46320
0.8046	Intermediate Similarity	NPC96055
0.8046	Intermediate Similarity	NPC302360
0.8043	Intermediate Similarity	NPC91010
0.8043	Intermediate Similarity	NPC105490
0.8043	Intermediate Similarity	NPC104925
0.8043	Intermediate Similarity	NPC298973
0.8043	Intermediate Similarity	NPC57117
0.8023	Intermediate Similarity	NPC155521
0.8022	Intermediate Similarity	NPC41239
0.8022	Intermediate Similarity	NPC72845
0.8021	Intermediate Similarity	NPC283343
0.8021	Intermediate Similarity	NPC137430
0.8021	Intermediate Similarity	NPC273668
0.8021	Intermediate Similarity	NPC258547
0.8021	Intermediate Similarity	NPC472552
0.8021	Intermediate Similarity	NPC11956
0.8	Intermediate Similarity	NPC219285
0.8	Intermediate Similarity	NPC228251
0.8	Intermediate Similarity	NPC50488
0.8	Intermediate Similarity	NPC474396
0.8	Intermediate Similarity	NPC477917
0.8	Intermediate Similarity	NPC477971
0.8	Intermediate Similarity	NPC4299
0.8	Intermediate Similarity	NPC161527
0.8	Intermediate Similarity	NPC470734
0.8	Intermediate Similarity	NPC20113
0.8	Intermediate Similarity	NPC477972
0.8	Intermediate Similarity	NPC477968
0.7979	Intermediate Similarity	NPC285513
0.7979	Intermediate Similarity	NPC141401
0.7978	Intermediate Similarity	NPC102640
0.7978	Intermediate Similarity	NPC476948
0.7978	Intermediate Similarity	NPC473891
0.7959	Intermediate Similarity	NPC111952
0.7959	Intermediate Similarity	NPC88349
0.7957	Intermediate Similarity	NPC476720
0.7957	Intermediate Similarity	NPC53565
0.7957	Intermediate Similarity	NPC472441
0.7957	Intermediate Similarity	NPC134067
0.7957	Intermediate Similarity	NPC471786
0.7957	Intermediate Similarity	NPC183012
0.7957	Intermediate Similarity	NPC37603
0.7955	Intermediate Similarity	NPC266511
0.7955	Intermediate Similarity	NPC191965
0.7952	Intermediate Similarity	NPC265588
0.7938	Intermediate Similarity	NPC99266
0.7938	Intermediate Similarity	NPC8196
0.7938	Intermediate Similarity	NPC23584
0.7935	Intermediate Similarity	NPC152778
0.7935	Intermediate Similarity	NPC205034
0.7935	Intermediate Similarity	NPC162615
0.7935	Intermediate Similarity	NPC27918
0.7935	Intermediate Similarity	NPC7349
0.7935	Intermediate Similarity	NPC38232
0.7931	Intermediate Similarity	NPC311070
0.7931	Intermediate Similarity	NPC474789
0.7931	Intermediate Similarity	NPC79945
0.7931	Intermediate Similarity	NPC132386
0.7931	Intermediate Similarity	NPC57370
0.7931	Intermediate Similarity	NPC52108
0.7917	Intermediate Similarity	NPC96784
0.7917	Intermediate Similarity	NPC235920
0.7912	Intermediate Similarity	NPC310479
0.7912	Intermediate Similarity	NPC182136
0.7907	Intermediate Similarity	NPC473420
0.79	Intermediate Similarity	NPC475586
0.7895	Intermediate Similarity	NPC325229
0.7895	Intermediate Similarity	NPC275086
0.7895	Intermediate Similarity	NPC218107
0.7895	Intermediate Similarity	NPC92275
0.7895	Intermediate Similarity	NPC478056
0.7889	Intermediate Similarity	NPC229612
0.7889	Intermediate Similarity	NPC24816
0.7889	Intermediate Similarity	NPC93411
0.7889	Intermediate Similarity	NPC474629
0.7889	Intermediate Similarity	NPC7280
0.7889	Intermediate Similarity	NPC477128
0.7889	Intermediate Similarity	NPC69713
0.7882	Intermediate Similarity	NPC233295
0.7879	Intermediate Similarity	NPC475176
0.7879	Intermediate Similarity	NPC301666
0.7879	Intermediate Similarity	NPC67321
0.7879	Intermediate Similarity	NPC473586
0.7879	Intermediate Similarity	NPC472390
0.7879	Intermediate Similarity	NPC187435
0.7879	Intermediate Similarity	NPC143609
0.7875	Intermediate Similarity	NPC101622
0.7872	Intermediate Similarity	NPC16967
0.7872	Intermediate Similarity	NPC165632
0.7865	Intermediate Similarity	NPC73038
0.7865	Intermediate Similarity	NPC322159
0.7865	Intermediate Similarity	NPC84121
0.7865	Intermediate Similarity	NPC255143
0.7865	Intermediate Similarity	NPC325594
0.7865	Intermediate Similarity	NPC82979
0.7865	Intermediate Similarity	NPC137306
0.7865	Intermediate Similarity	NPC220478
0.7865	Intermediate Similarity	NPC471219
0.7857	Intermediate Similarity	NPC470768
0.7857	Intermediate Similarity	NPC91594
0.7849	Intermediate Similarity	NPC279410
0.7849	Intermediate Similarity	NPC470255
0.7849	Intermediate Similarity	NPC119562

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC35933 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	127
0.1-0.2	1137
0.2-0.3	3579
0.3-0.4	2633
0.4-0.5	1136
0.5-0.6	299
0.6-0.7	227
0.7-0.8	22
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8085	Intermediate Similarity	NPD4225	Approved
0.7812	Intermediate Similarity	NPD7640	Approved
0.7812	Intermediate Similarity	NPD7639	Approved
0.7708	Intermediate Similarity	NPD7638	Approved
0.7444	Intermediate Similarity	NPD6400	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD6051	Approved
0.7412	Intermediate Similarity	NPD8264	Approved
0.7383	Intermediate Similarity	NPD7115	Discovery
0.7374	Intermediate Similarity	NPD5344	Discontinued
0.7292	Intermediate Similarity	NPD7748	Approved
0.7273	Intermediate Similarity	NPD6648	Approved
0.7273	Intermediate Similarity	NPD7645	Phase 2
0.7263	Intermediate Similarity	NPD7515	Phase 2
0.7188	Intermediate Similarity	NPD6399	Phase 3
0.7129	Intermediate Similarity	NPD7632	Discontinued
0.7083	Intermediate Similarity	NPD7637	Suspended
0.7071	Intermediate Similarity	NPD7902	Approved
0.7033	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD7339	Approved
0.7011	Intermediate Similarity	NPD6942	Approved
0.701	Intermediate Similarity	NPD5778	Approved
0.701	Intermediate Similarity	NPD5779	Approved
0.7	Intermediate Similarity	NPD7525	Registered
0.6989	Remote Similarity	NPD1694	Approved
0.6939	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD7900	Approved
0.6932	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6907	Remote Similarity	NPD6411	Approved
0.6887	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6882	Remote Similarity	NPD4786	Approved
0.6848	Remote Similarity	NPD3667	Approved
0.6847	Remote Similarity	NPD7328	Approved
0.6847	Remote Similarity	NPD7327	Approved
0.6842	Remote Similarity	NPD7524	Approved
0.6829	Remote Similarity	NPD5325	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD8039	Approved
0.6814	Remote Similarity	NPD8033	Approved
0.6804	Remote Similarity	NPD46	Approved
0.6804	Remote Similarity	NPD6698	Approved
0.68	Remote Similarity	NPD4792	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD6686	Approved
0.6786	Remote Similarity	NPD7516	Approved
0.6774	Remote Similarity	NPD6695	Phase 3
0.6762	Remote Similarity	NPD5739	Approved
0.6762	Remote Similarity	NPD6675	Approved
0.6762	Remote Similarity	NPD6402	Approved
0.6762	Remote Similarity	NPD7128	Approved
0.6737	Remote Similarity	NPD5330	Approved
0.6737	Remote Similarity	NPD6684	Approved
0.6737	Remote Similarity	NPD3618	Phase 1
0.6737	Remote Similarity	NPD7334	Approved
0.6737	Remote Similarity	NPD6409	Approved
0.6737	Remote Similarity	NPD7146	Approved
0.6737	Remote Similarity	NPD7521	Approved
0.6726	Remote Similarity	NPD8377	Approved
0.6726	Remote Similarity	NPD8294	Approved
0.6702	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD5328	Approved
0.6701	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD6101	Approved
0.6697	Remote Similarity	NPD8297	Approved
0.6667	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8296	Approved
0.6667	Remote Similarity	NPD8380	Approved
0.6667	Remote Similarity	NPD8335	Approved
0.6667	Remote Similarity	NPD8379	Approved
0.6667	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8378	Approved
0.6667	Remote Similarity	NPD7503	Approved
0.6636	Remote Similarity	NPD6881	Approved
0.6636	Remote Similarity	NPD6899	Approved
0.6636	Remote Similarity	NPD7320	Approved
0.6633	Remote Similarity	NPD7838	Discovery
0.6633	Remote Similarity	NPD5785	Approved
0.6632	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.6632	Remote Similarity	NPD6082	Clinical (unspecified phase)
0.663	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.6598	Remote Similarity	NPD5737	Approved
0.6598	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6598	Remote Similarity	NPD6672	Approved
0.6598	Remote Similarity	NPD6903	Approved
0.6596	Remote Similarity	NPD5362	Discontinued
0.6596	Remote Similarity	NPD7154	Phase 3
0.6593	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.6593	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD368	Approved
0.6574	Remote Similarity	NPD6372	Approved
0.6574	Remote Similarity	NPD6373	Approved
0.6569	Remote Similarity	NPD6084	Phase 2
0.6569	Remote Similarity	NPD6083	Phase 2
0.6566	Remote Similarity	NPD6079	Approved
0.6566	Remote Similarity	NPD8034	Phase 2
0.6566	Remote Similarity	NPD8035	Phase 2
0.6556	Remote Similarity	NPD6933	Approved
0.6548	Remote Similarity	NPD2685	Clinical (unspecified phase)
0.6542	Remote Similarity	NPD5701	Approved
0.6542	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6542	Remote Similarity	NPD5697	Approved
0.6538	Remote Similarity	NPD4159	Approved
0.6526	Remote Similarity	NPD3668	Phase 3
0.6522	Remote Similarity	NPD6929	Approved
0.6517	Remote Similarity	NPD6926	Approved
0.6517	Remote Similarity	NPD6924	Approved
0.6514	Remote Similarity	NPD7102	Approved
0.6514	Remote Similarity	NPD7290	Approved
0.6514	Remote Similarity	NPD6883	Approved
0.6495	Remote Similarity	NPD7750	Discontinued
0.6495	Remote Similarity	NPD3573	Approved
0.6484	Remote Similarity	NPD5776	Phase 2
0.6484	Remote Similarity	NPD6925	Approved
0.6481	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6481	Remote Similarity	NPD6011	Approved
0.6477	Remote Similarity	NPD7150	Approved
0.6477	Remote Similarity	NPD7152	Approved
0.6477	Remote Similarity	NPD7151	Approved
0.6455	Remote Similarity	NPD6847	Approved
0.6455	Remote Similarity	NPD6649	Approved
0.6455	Remote Similarity	NPD6869	Approved
0.6455	Remote Similarity	NPD6617	Approved
0.6455	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6455	Remote Similarity	NPD6650	Approved
0.6455	Remote Similarity	NPD8130	Phase 1
0.6452	Remote Similarity	NPD4822	Approved
0.6452	Remote Similarity	NPD6930	Phase 2
0.6452	Remote Similarity	NPD4821	Approved
0.6452	Remote Similarity	NPD6931	Approved
0.6452	Remote Similarity	NPD4819	Approved
0.6452	Remote Similarity	NPD7514	Phase 3
0.6452	Remote Similarity	NPD7332	Phase 2
0.6452	Remote Similarity	NPD4820	Approved
0.6441	Remote Similarity	NPD7507	Approved
0.6437	Remote Similarity	NPD6923	Approved
0.6437	Remote Similarity	NPD6922	Approved
0.6422	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.6422	Remote Similarity	NPD6013	Approved
0.6422	Remote Similarity	NPD6014	Approved
0.6422	Remote Similarity	NPD6012	Approved
0.6421	Remote Similarity	NPD5332	Approved
0.6421	Remote Similarity	NPD5331	Approved
0.6413	Remote Similarity	NPD4271	Approved
0.6413	Remote Similarity	NPD7145	Approved
0.6413	Remote Similarity	NPD4268	Approved
0.64	Remote Similarity	NPD5693	Phase 1
0.64	Remote Similarity	NPD7983	Approved
0.6396	Remote Similarity	NPD6882	Approved
0.6383	Remote Similarity	NPD4790	Discontinued
0.6383	Remote Similarity	NPD6902	Approved
0.6379	Remote Similarity	NPD8513	Phase 3
0.6379	Remote Similarity	NPD8517	Approved
0.6379	Remote Similarity	NPD8515	Approved
0.6379	Remote Similarity	NPD8516	Approved
0.6373	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6373	Remote Similarity	NPD5695	Phase 3
0.6364	Remote Similarity	NPD7143	Approved
0.6364	Remote Similarity	NPD7144	Approved
0.6354	Remote Similarity	NPD3666	Approved
0.6354	Remote Similarity	NPD3665	Phase 1
0.6354	Remote Similarity	NPD3133	Approved
0.6339	Remote Similarity	NPD4632	Approved
0.6337	Remote Similarity	NPD4202	Approved
0.6321	Remote Similarity	NPD5211	Phase 2
0.6316	Remote Similarity	NPD4270	Approved
0.6316	Remote Similarity	NPD4269	Approved
0.6311	Remote Similarity	NPD5222	Approved
0.6311	Remote Similarity	NPD5221	Approved
0.6311	Remote Similarity	NPD4697	Phase 3
0.6311	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6296	Remote Similarity	NPD6008	Approved
0.6296	Remote Similarity	NPD6640	Phase 3
0.6289	Remote Similarity	NPD1696	Phase 3
0.6281	Remote Similarity	NPD7319	Approved
0.6277	Remote Similarity	NPD8259	Clinical (unspecified phase)
0.6277	Remote Similarity	NPD7509	Discontinued
0.6277	Remote Similarity	NPD4748	Discontinued
0.625	Remote Similarity	NPD6053	Discontinued
0.625	Remote Similarity	NPD4755	Approved
0.625	Remote Similarity	NPD5173	Approved
0.6239	Remote Similarity	NPD6412	Phase 2
0.6238	Remote Similarity	NPD7087	Discontinued
0.6228	Remote Similarity	NPD6868	Approved
0.6224	Remote Similarity	NPD6422	Discontinued
0.6224	Remote Similarity	NPD5786	Approved
0.6224	Remote Similarity	NPD6098	Approved
0.6216	Remote Similarity	NPD6371	Approved
0.6211	Remote Similarity	NPD6898	Phase 1
0.6204	Remote Similarity	NPD5141	Approved
0.62	Remote Similarity	NPD6080	Approved
0.62	Remote Similarity	NPD6673	Approved
0.62	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.62	Remote Similarity	NPD6904	Approved
0.6195	Remote Similarity	NPD8133	Approved
0.619	Remote Similarity	NPD4194	Approved
0.619	Remote Similarity	NPD5696	Approved
0.619	Remote Similarity	NPD4193	Approved
0.619	Remote Similarity	NPD4192	Approved
0.619	Remote Similarity	NPD4191	Approved
0.6174	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.6174	Remote Similarity	NPD6009	Approved
0.6162	Remote Similarity	NPD4251	Approved

Structure

NPC35933 OpenBabel07101718242D 29 30 0 0 1 0 0 0 0 0999 V2000 -0.8660 -3.5000 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 3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 2.3660 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 -1.7321 -0.0000 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 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -3.5000 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 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -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 2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 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 1.7321 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 1 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 -0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7321 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 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 0.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 5 23 1 0 0 0 0 6 23 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 26 2 0 0 0 0 17 28 1 0 0 0 0 18 27 2 0 0 0 0 18 29 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 1 0 0 0 21 22 1 0 0 0 0 21 29 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 6 0 0 0 24 7 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	44448158
ChEMBL	CHEMBL401598
ZINC

Physicochemical Properties

Molecular Weight:	406.27
ALogP:	1.938
MLogP:	3.55
XLogP:	4.508
# Rotatable Bonds:	16
Polar Surface Area:	72.83
# H-Bond Aceptor:	5
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	29

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