NPASS Natural Product

Natural Product: NPC209816

Natural Product ID:	NPC209816
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C22H34O4
Standard InCHIKey:	DLVHSXNKIYIDJS-LTLOCAGFSA-N
Standard InCHI:	InChI=1S/C22H34O4/c1-13(2)16-9-10-20(5)12-22(25)14(3)7-8-18(24)21(22,6)11-17(19(16)20)26-15(4)23/h13,17-18,24-25H,3,7-12H2,1-2,4-6H3/t17-,18-,20-,21-,22+/m1/s1
Canonical SMILES:	CC(=O)O[C@@H]1C[C@]2(C)[C@H](O)CCC(=C)[C@]2(C[C@@]2(C1=C(CC2)C(C)C)C)O
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
NPO32773	dictyota plectens	Species	Dictyotaceae	Eukaryota		China		PMID[25495797]

Biological Activity

Activity Type	# Activity
IC50	2
Others	1

Activity Type	# Activity
Cell Line	1
Organism	1
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Inhibition	<	50	%	8676130
NPT71	Cell Line	HEK293	Homo sapiens	IC50	=	53000	nM	10.1039/C3MD00097D
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	IC50	=	16100	nM	PubChem BioAssay data set

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 NPC209816 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	119
0.1-0.2	878
0.2-0.3	2931
0.3-0.4	6064
0.4-0.5	10237
0.5-0.6	4530
0.6-0.7	5023
0.7-0.8	1068
0.8-0.85	32
0.85-0.9	5
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9882	High Similarity	NPC249034
0.9286	High Similarity	NPC222634
0.8913	High Similarity	NPC254121
0.8804	High Similarity	NPC475304
0.8696	High Similarity	NPC86893
0.8696	High Similarity	NPC292178
0.8542	High Similarity	NPC165578
0.8452	Intermediate Similarity	NPC31037
0.84	Intermediate Similarity	NPC273433
0.8333	Intermediate Similarity	NPC274643
0.8333	Intermediate Similarity	NPC475877
0.8316	Intermediate Similarity	NPC473244
0.8298	Intermediate Similarity	NPC276110
0.8298	Intermediate Similarity	NPC476720
0.8261	Intermediate Similarity	NPC220216
0.8211	Intermediate Similarity	NPC211810
0.8211	Intermediate Similarity	NPC284194
0.8211	Intermediate Similarity	NPC221801
0.8211	Intermediate Similarity	NPC471765
0.8202	Intermediate Similarity	NPC102048
0.8191	Intermediate Similarity	NPC105490
0.8172	Intermediate Similarity	NPC124374
0.8152	Intermediate Similarity	NPC261320
0.8144	Intermediate Similarity	NPC474718
0.8144	Intermediate Similarity	NPC38855
0.8132	Intermediate Similarity	NPC166857
0.8132	Intermediate Similarity	NPC471796
0.8085	Intermediate Similarity	NPC7349
0.8085	Intermediate Similarity	NPC472641
0.8085	Intermediate Similarity	NPC472640
0.8085	Intermediate Similarity	NPC99653
0.8081	Intermediate Similarity	NPC473523
0.8041	Intermediate Similarity	NPC278673
0.8041	Intermediate Similarity	NPC275086
0.8041	Intermediate Similarity	NPC325229
0.8021	Intermediate Similarity	NPC165632
0.8	Intermediate Similarity	NPC473543
0.8	Intermediate Similarity	NPC472416
0.8	Intermediate Similarity	NPC472360
0.798	Intermediate Similarity	NPC109195
0.798	Intermediate Similarity	NPC478156
0.798	Intermediate Similarity	NPC475038
0.798	Intermediate Similarity	NPC471914
0.7959	Intermediate Similarity	NPC272223
0.7959	Intermediate Similarity	NPC16601
0.7959	Intermediate Similarity	NPC324841
0.7957	Intermediate Similarity	NPC246028
0.7938	Intermediate Similarity	NPC51499
0.7938	Intermediate Similarity	NPC287668
0.7935	Intermediate Similarity	NPC471779
0.7917	Intermediate Similarity	NPC471915
0.7917	Intermediate Similarity	NPC111273
0.79	Intermediate Similarity	NPC196471
0.79	Intermediate Similarity	NPC97487
0.79	Intermediate Similarity	NPC187302
0.79	Intermediate Similarity	NPC10232
0.79	Intermediate Similarity	NPC471938
0.79	Intermediate Similarity	NPC189588
0.7895	Intermediate Similarity	NPC110022
0.7879	Intermediate Similarity	NPC475617
0.7879	Intermediate Similarity	NPC472554
0.7879	Intermediate Similarity	NPC11974
0.7872	Intermediate Similarity	NPC48732
0.7872	Intermediate Similarity	NPC78973
0.7872	Intermediate Similarity	NPC472642
0.7857	Intermediate Similarity	NPC218107
0.7843	Intermediate Similarity	NPC475781
0.7843	Intermediate Similarity	NPC471205
0.7835	Intermediate Similarity	NPC129569
0.7835	Intermediate Similarity	NPC202833
0.7826	Intermediate Similarity	NPC131813
0.7826	Intermediate Similarity	NPC477668
0.7822	Intermediate Similarity	NPC471937
0.7822	Intermediate Similarity	NPC473577
0.7822	Intermediate Similarity	NPC474550
0.7822	Intermediate Similarity	NPC475585
0.7822	Intermediate Similarity	NPC239162
0.7812	Intermediate Similarity	NPC161998
0.7812	Intermediate Similarity	NPC474922
0.7812	Intermediate Similarity	NPC182826
0.7812	Intermediate Similarity	NPC105375
0.78	Intermediate Similarity	NPC476081
0.78	Intermediate Similarity	NPC476471
0.78	Intermediate Similarity	NPC475344
0.78	Intermediate Similarity	NPC472552
0.78	Intermediate Similarity	NPC474709
0.7789	Intermediate Similarity	NPC473675
0.7789	Intermediate Similarity	NPC130840
0.7789	Intermediate Similarity	NPC78594
0.7789	Intermediate Similarity	NPC234335
0.7778	Intermediate Similarity	NPC251680
0.7778	Intermediate Similarity	NPC188968
0.7767	Intermediate Similarity	NPC38948
0.7755	Intermediate Similarity	NPC210337
0.7753	Intermediate Similarity	NPC469802
0.7745	Intermediate Similarity	NPC220217
0.7745	Intermediate Similarity	NPC475290
0.7745	Intermediate Similarity	NPC119855
0.7742	Intermediate Similarity	NPC44538
0.7732	Intermediate Similarity	NPC37603
0.7732	Intermediate Similarity	NPC471786
0.7723	Intermediate Similarity	NPC160583
0.7723	Intermediate Similarity	NPC475623
0.7723	Intermediate Similarity	NPC120009
0.7723	Intermediate Similarity	NPC45897
0.7723	Intermediate Similarity	NPC474124
0.7723	Intermediate Similarity	NPC473694
0.7723	Intermediate Similarity	NPC475334
0.7717	Intermediate Similarity	NPC471795
0.7708	Intermediate Similarity	NPC53555
0.77	Intermediate Similarity	NPC295110
0.77	Intermediate Similarity	NPC222875
0.77	Intermediate Similarity	NPC247701
0.77	Intermediate Similarity	NPC25177
0.77	Intermediate Similarity	NPC268829
0.7692	Intermediate Similarity	NPC474809
0.7692	Intermediate Similarity	NPC23748
0.7692	Intermediate Similarity	NPC311070
0.7692	Intermediate Similarity	NPC206618
0.7684	Intermediate Similarity	NPC53890
0.7684	Intermediate Similarity	NPC123252
0.7684	Intermediate Similarity	NPC10274
0.7684	Intermediate Similarity	NPC219937
0.7684	Intermediate Similarity	NPC194485
0.7677	Intermediate Similarity	NPC470066
0.7677	Intermediate Similarity	NPC470067
0.767	Intermediate Similarity	NPC475074
0.767	Intermediate Similarity	NPC67321
0.767	Intermediate Similarity	NPC187435
0.7667	Intermediate Similarity	NPC475944
0.766	Intermediate Similarity	NPC291665
0.766	Intermediate Similarity	NPC476723
0.766	Intermediate Similarity	NPC476724
0.7653	Intermediate Similarity	NPC234993
0.7653	Intermediate Similarity	NPC320231
0.7653	Intermediate Similarity	NPC134072
0.7653	Intermediate Similarity	NPC319861
0.7653	Intermediate Similarity	NPC472995
0.7653	Intermediate Similarity	NPC54248
0.7653	Intermediate Similarity	NPC88009
0.7653	Intermediate Similarity	NPC276103
0.7647	Intermediate Similarity	NPC288502
0.7647	Intermediate Similarity	NPC121518
0.7647	Intermediate Similarity	NPC475335
0.7647	Intermediate Similarity	NPC80809
0.7647	Intermediate Similarity	NPC475331
0.7647	Intermediate Similarity	NPC201144
0.7647	Intermediate Similarity	NPC103298
0.7647	Intermediate Similarity	NPC181104
0.764	Intermediate Similarity	NPC80471
0.764	Intermediate Similarity	NPC110373
0.764	Intermediate Similarity	NPC242767
0.764	Intermediate Similarity	NPC5908
0.7634	Intermediate Similarity	NPC475684
0.7634	Intermediate Similarity	NPC102996
0.7634	Intermediate Similarity	NPC471219
0.7629	Intermediate Similarity	NPC140277
0.7629	Intermediate Similarity	NPC3359
0.7629	Intermediate Similarity	NPC469491
0.7629	Intermediate Similarity	NPC144202
0.7629	Intermediate Similarity	NPC57117
0.7629	Intermediate Similarity	NPC39453
0.7624	Intermediate Similarity	NPC470972
0.7624	Intermediate Similarity	NPC11956
0.7624	Intermediate Similarity	NPC238397
0.7624	Intermediate Similarity	NPC475091
0.7624	Intermediate Similarity	NPC471363
0.7619	Intermediate Similarity	NPC472215
0.7619	Intermediate Similarity	NPC472214
0.7614	Intermediate Similarity	NPC476439
0.7614	Intermediate Similarity	NPC84360
0.7609	Intermediate Similarity	NPC471302
0.7609	Intermediate Similarity	NPC83702
0.7609	Intermediate Similarity	NPC32223
0.7604	Intermediate Similarity	NPC477574
0.7604	Intermediate Similarity	NPC41239
0.7604	Intermediate Similarity	NPC219516
0.76	Intermediate Similarity	NPC477968
0.76	Intermediate Similarity	NPC130792
0.76	Intermediate Similarity	NPC219285
0.76	Intermediate Similarity	NPC20113
0.76	Intermediate Similarity	NPC228251
0.76	Intermediate Similarity	NPC230546
0.76	Intermediate Similarity	NPC473510
0.76	Intermediate Similarity	NPC161527
0.76	Intermediate Similarity	NPC477971
0.76	Intermediate Similarity	NPC79303
0.76	Intermediate Similarity	NPC477972
0.7596	Intermediate Similarity	NPC472218
0.7596	Intermediate Similarity	NPC472217
0.7596	Intermediate Similarity	NPC472219
0.7593	Intermediate Similarity	NPC471127
0.7593	Intermediate Similarity	NPC234858
0.7593	Intermediate Similarity	NPC154363
0.7582	Intermediate Similarity	NPC155521
0.7579	Intermediate Similarity	NPC314727
0.7579	Intermediate Similarity	NPC170633
0.7579	Intermediate Similarity	NPC16265
0.7579	Intermediate Similarity	NPC291875
0.7576	Intermediate Similarity	NPC120446

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC209816 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	130
0.1-0.2	1432
0.2-0.3	3786
0.3-0.4	2509
0.4-0.5	829
0.5-0.6	280
0.6-0.7	174
0.7-0.8	21
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7778	Intermediate Similarity	NPD7640	Approved
0.7778	Intermediate Similarity	NPD7639	Approved
0.77	Intermediate Similarity	NPD5344	Discontinued
0.7677	Intermediate Similarity	NPD7638	Approved
0.7609	Intermediate Similarity	NPD7338	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6695	Phase 3
0.7426	Intermediate Similarity	NPD6648	Approved
0.7423	Intermediate Similarity	NPD7637	Suspended
0.7282	Intermediate Similarity	NPD7632	Discontinued
0.7188	Intermediate Similarity	NPD7524	Approved
0.7188	Intermediate Similarity	NPD7750	Discontinued
0.7174	Intermediate Similarity	NPD7332	Phase 2
0.7174	Intermediate Similarity	NPD6930	Phase 2
0.7174	Intermediate Similarity	NPD6931	Approved
0.7157	Intermediate Similarity	NPD4225	Approved
0.7143	Intermediate Similarity	NPD7327	Approved
0.7143	Intermediate Similarity	NPD7328	Approved
0.713	Intermediate Similarity	NPD6371	Approved
0.708	Intermediate Similarity	NPD7516	Approved
0.7065	Intermediate Similarity	NPD6929	Approved
0.7037	Intermediate Similarity	NPD4061	Clinical (unspecified phase)
0.6989	Remote Similarity	NPD7514	Phase 3
0.6957	Remote Similarity	NPD8335	Approved
0.6957	Remote Similarity	NPD8296	Approved
0.6957	Remote Similarity	NPD8378	Approved
0.6957	Remote Similarity	NPD8380	Approved
0.6957	Remote Similarity	NPD8379	Approved
0.6944	Remote Similarity	NPD6686	Approved
0.6915	Remote Similarity	NPD6898	Phase 1
0.69	Remote Similarity	NPD7087	Discontinued
0.6875	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.687	Remote Similarity	NPD8294	Approved
0.687	Remote Similarity	NPD8377	Approved
0.6869	Remote Similarity	NPD6051	Approved
0.6852	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD6925	Approved
0.6848	Remote Similarity	NPD5776	Phase 2
0.6837	Remote Similarity	NPD4251	Approved
0.6837	Remote Similarity	NPD4250	Approved
0.6832	Remote Similarity	NPD5779	Approved
0.6832	Remote Similarity	NPD5778	Approved
0.6818	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.681	Remote Similarity	NPD7503	Approved
0.681	Remote Similarity	NPD8033	Approved
0.6809	Remote Similarity	NPD4819	Approved
0.6809	Remote Similarity	NPD7525	Registered
0.6809	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD4820	Approved
0.6809	Remote Similarity	NPD4821	Approved
0.6809	Remote Similarity	NPD4822	Approved
0.6804	Remote Similarity	NPD6893	Approved
0.6804	Remote Similarity	NPD6082	Clinical (unspecified phase)
0.68	Remote Similarity	NPD46	Approved
0.68	Remote Similarity	NPD7838	Discovery
0.68	Remote Similarity	NPD6698	Approved
0.6774	Remote Similarity	NPD7145	Approved
0.6771	Remote Similarity	NPD7154	Phase 3
0.6737	Remote Similarity	NPD6902	Approved
0.6735	Remote Similarity	NPD4249	Approved
0.67	Remote Similarity	NPD1695	Approved
0.6699	Remote Similarity	NPD1698	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD6053	Discontinued
0.6667	Remote Similarity	NPD6932	Approved
0.6632	Remote Similarity	NPD7509	Discontinued
0.6609	Remote Similarity	NPD7115	Discovery
0.6606	Remote Similarity	NPD5739	Approved
0.6606	Remote Similarity	NPD6675	Approved
0.6606	Remote Similarity	NPD7128	Approved
0.6606	Remote Similarity	NPD6402	Approved
0.6598	Remote Similarity	NPD5362	Discontinued
0.6596	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.6596	Remote Similarity	NPD4268	Approved
0.6596	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6596	Remote Similarity	NPD4271	Approved
0.6583	Remote Similarity	NPD7507	Approved
0.6557	Remote Similarity	NPD7319	Approved
0.6545	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6526	Remote Similarity	NPD6683	Phase 2
0.6522	Remote Similarity	NPD6924	Approved
0.6522	Remote Similarity	NPD6926	Approved
0.6509	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.6505	Remote Similarity	NPD6399	Phase 3
0.6495	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6486	Remote Similarity	NPD6899	Approved
0.6486	Remote Similarity	NPD6881	Approved
0.6486	Remote Similarity	NPD7320	Approved
0.6486	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD5785	Approved
0.6455	Remote Similarity	NPD6640	Phase 3
0.6429	Remote Similarity	NPD6372	Approved
0.6429	Remote Similarity	NPD6373	Approved
0.6415	Remote Similarity	NPD6084	Phase 2
0.6415	Remote Similarity	NPD6083	Phase 2
0.6408	Remote Similarity	NPD7983	Approved
0.6408	Remote Similarity	NPD6411	Approved
0.6408	Remote Similarity	NPD8034	Phase 2
0.6408	Remote Similarity	NPD8035	Phase 2
0.6396	Remote Similarity	NPD5697	Approved
0.6396	Remote Similarity	NPD5701	Approved
0.6383	Remote Similarity	NPD6933	Approved
0.6372	Remote Similarity	NPD7102	Approved
0.6372	Remote Similarity	NPD7290	Approved
0.6372	Remote Similarity	NPD6883	Approved
0.6354	Remote Similarity	NPD7645	Phase 2
0.6348	Remote Similarity	NPD8133	Approved
0.6337	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.6327	Remote Similarity	NPD6435	Approved
0.6321	Remote Similarity	NPD4792	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD6617	Approved
0.6316	Remote Similarity	NPD8130	Phase 1
0.6316	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD6847	Approved
0.6316	Remote Similarity	NPD6649	Approved
0.6316	Remote Similarity	NPD6869	Approved
0.6316	Remote Similarity	NPD6650	Approved
0.6311	Remote Similarity	NPD3168	Discontinued
0.6311	Remote Similarity	NPD7136	Phase 2
0.63	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.63	Remote Similarity	NPD1694	Approved
0.6286	Remote Similarity	NPD7748	Approved
0.6286	Remote Similarity	NPD5282	Discontinued
0.6283	Remote Similarity	NPD6014	Approved
0.6283	Remote Similarity	NPD6013	Approved
0.6283	Remote Similarity	NPD6012	Approved
0.6263	Remote Similarity	NPD5332	Approved
0.6263	Remote Similarity	NPD5331	Approved
0.6262	Remote Similarity	NPD7902	Approved
0.6261	Remote Similarity	NPD8297	Approved
0.6261	Remote Similarity	NPD6882	Approved
0.625	Remote Similarity	NPD7515	Phase 2
0.625	Remote Similarity	NPD6412	Phase 2
0.6226	Remote Similarity	NPD5695	Phase 3
0.6224	Remote Similarity	NPD4790	Discontinued
0.6214	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6214	Remote Similarity	NPD6101	Approved
0.6207	Remote Similarity	NPD4632	Approved
0.6207	Remote Similarity	NPD368	Approved
0.6195	Remote Similarity	NPD6011	Approved
0.6182	Remote Similarity	NPD5211	Phase 2
0.618	Remote Similarity	NPD2685	Clinical (unspecified phase)
0.6174	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6167	Remote Similarity	NPD6319	Approved
0.6162	Remote Similarity	NPD4270	Approved
0.6162	Remote Similarity	NPD4269	Approved
0.6161	Remote Similarity	NPD6008	Approved
0.614	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.6122	Remote Similarity	NPD5368	Approved
0.6116	Remote Similarity	NPD8515	Approved
0.6116	Remote Similarity	NPD8513	Phase 3
0.6116	Remote Similarity	NPD8517	Approved
0.6116	Remote Similarity	NPD8516	Approved
0.6111	Remote Similarity	NPD4755	Approved
0.6105	Remote Similarity	NPD8039	Approved
0.6105	Remote Similarity	NPD7339	Approved
0.6105	Remote Similarity	NPD6942	Approved
0.6105	Remote Similarity	NPD8264	Approved
0.6098	Remote Similarity	NPD7492	Approved
0.6091	Remote Similarity	NPD4159	Approved
0.6087	Remote Similarity	NPD6923	Approved
0.6087	Remote Similarity	NPD6922	Approved
0.6078	Remote Similarity	NPD7521	Approved
0.6078	Remote Similarity	NPD5786	Approved
0.6078	Remote Similarity	NPD3618	Phase 1
0.6078	Remote Similarity	NPD6684	Approved
0.6078	Remote Similarity	NPD5330	Approved
0.6078	Remote Similarity	NPD6409	Approved
0.6078	Remote Similarity	NPD7334	Approved
0.6078	Remote Similarity	NPD7146	Approved
0.6071	Remote Similarity	NPD5141	Approved
0.6067	Remote Similarity	NPD5325	Clinical (unspecified phase)
0.6064	Remote Similarity	NPD4732	Discontinued
0.6061	Remote Similarity	NPD5369	Approved
0.6058	Remote Similarity	NPD5328	Approved
0.6055	Remote Similarity	NPD5696	Approved
0.605	Remote Similarity	NPD6009	Approved
0.6048	Remote Similarity	NPD6616	Approved
0.6042	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.604	Remote Similarity	NPD4786	Approved
0.6038	Remote Similarity	NPD4202	Approved
0.6036	Remote Similarity	NPD3653	Clinical (unspecified phase)
0.6033	Remote Similarity	NPD6059	Approved
0.6033	Remote Similarity	NPD7741	Discontinued
0.6033	Remote Similarity	NPD6054	Approved
0.6022	Remote Similarity	NPD7143	Approved
0.6022	Remote Similarity	NPD7144	Approved
0.6019	Remote Similarity	NPD7839	Suspended
0.6016	Remote Similarity	NPD7604	Phase 2
0.6	Remote Similarity	NPD3667	Approved
0.6	Remote Similarity	NPD8293	Discontinued
0.6	Remote Similarity	NPD4696	Approved
0.6	Remote Similarity	NPD5209	Approved
0.6	Remote Similarity	NPD5286	Approved
0.6	Remote Similarity	NPD4700	Approved
0.6	Remote Similarity	NPD5285	Approved
0.6	Remote Similarity	NPD7078	Approved
0.5984	Remote Similarity	NPD5983	Phase 2
0.5981	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.5981	Remote Similarity	NPD7900	Approved
0.598	Remote Similarity	NPD5363	Approved
0.5966	Remote Similarity	NPD6274	Approved

Structure

NPC209816 OpenBabel07101719132D 26 28 0 0 1 0 0 0 0 0999 V2000 -3.5922 -2.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8441 -0.8515 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 -1.0261 -3.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7592 0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5633 -0.1738 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 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 0.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7818 -1.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7818 0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8727 -1.0886 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 -2.0149 -3.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1816 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7568 -1.4010 0.0000 C 0 0 2 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 -2.1906 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7568 0.4010 0.0000 C 0 0 1 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 -0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6384 -3.8955 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 -0.5633 -0.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3802 -2.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 13 1 0 0 0 0 3 14 2 0 0 0 0 4 15 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 20 1 0 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 12 20 1 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 14 22 1 0 0 0 0 15 23 2 0 0 0 0 15 26 1 0 0 0 0 16 19 2 0 0 0 0 17 19 1 0 0 0 0 17 26 1 1 0 0 0 18 21 1 1 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 20 5 1 1 0 0 0 21 22 1 1 0 0 0 22 25 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3355402
ZINC

Physicochemical Properties

Molecular Weight:	362.25
ALogP:	0.6011
MLogP:	3.44
XLogP:	2.651
# Rotatable Bonds:	10
Polar Surface Area:	66.76
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	26

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