NPASS Natural Product

Natural Product: NPC475102

Natural Product ID:	NPC475102
Common Name:	9,10Alpha-Epoxy-9,10-Seco-Abieta-8,11,13-Trien-18-Oic Acid
IUPAC Name:	(6aS,7R,10aS)-7,10a-dimethyl-3-propan-2-yl-5,6,6a,8,9,10-hexahydrobenzo[b][1]benzoxepine-7-carboxylic acid
Synonyms:
Molecular Formula:	C20H28O3
Standard InCHIKey:	GCTKCJZLGLQMMV-SXLOBPIMSA-N
Standard InCHI:	InChI=1S/C20H28O3/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,18(21)22)10-5-11-20(17,4)23-16/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19+,20-/m0/s1
Canonical SMILES:	OC(=O)[C@]1(C)CCC[C@]2([C@H]1CCc1c(O2)ccc(c1)C(C)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
NPO33340	picea glehni	Species	Pinaceae	Eukaryota	Stem barks			PMID[10869208]

Biological Activity

Activity Type	# Activity
Others	5

Activity Type	# Activity
Cell Line	1
Others	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Inhibition	=	96.9	%	11575949
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	60	%	21855181
NPT2	Others	Unspecified		Inhibition	=	52.7	%	10.6019/CHEMBL1201861
NPT2	Others	Unspecified		Inhibition	=	85	%	26653328
NPT2	Others	Unspecified		Inhibition	=	10.2	%	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 NPC475102 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	215
0.1-0.2	1092
0.2-0.3	1797
0.3-0.4	4147
0.4-0.5	8197
0.5-0.6	3932
0.6-0.7	8195
0.7-0.8	3254
0.8-0.85	57
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.873	High Similarity	NPC164852
0.8676	High Similarity	NPC265335
0.8613	High Similarity	NPC79372
0.8462	Intermediate Similarity	NPC89630
0.8433	Intermediate Similarity	NPC258073
0.84	Intermediate Similarity	NPC51345
0.8394	Intermediate Similarity	NPC474610
0.8382	Intermediate Similarity	NPC213122
0.8369	Intermediate Similarity	NPC474599
0.8358	Intermediate Similarity	NPC249425
0.8346	Intermediate Similarity	NPC176590
0.8322	Intermediate Similarity	NPC286038
0.8321	Intermediate Similarity	NPC474237
0.8321	Intermediate Similarity	NPC75432
0.8321	Intermediate Similarity	NPC111088
0.8308	Intermediate Similarity	NPC476332
0.8308	Intermediate Similarity	NPC473464
0.8308	Intermediate Similarity	NPC121168
0.8295	Intermediate Similarity	NPC241001
0.8286	Intermediate Similarity	NPC155552
0.8264	Intermediate Similarity	NPC66991
0.8248	Intermediate Similarity	NPC27394
0.824	Intermediate Similarity	NPC109241
0.8222	Intermediate Similarity	NPC470725
0.8219	Intermediate Similarity	NPC140133
0.8214	Intermediate Similarity	NPC76312
0.8195	Intermediate Similarity	NPC128321
0.8182	Intermediate Similarity	NPC71739
0.8163	Intermediate Similarity	NPC48671
0.8148	Intermediate Similarity	NPC206028
0.814	Intermediate Similarity	NPC234956
0.8134	Intermediate Similarity	NPC142087
0.8134	Intermediate Similarity	NPC95034
0.8129	Intermediate Similarity	NPC21797
0.8129	Intermediate Similarity	NPC194847
0.8125	Intermediate Similarity	NPC263754
0.8125	Intermediate Similarity	NPC183154
0.812	Intermediate Similarity	NPC320847
0.8092	Intermediate Similarity	NPC249340
0.8092	Intermediate Similarity	NPC162935
0.8088	Intermediate Similarity	NPC109778
0.8088	Intermediate Similarity	NPC327457
0.8088	Intermediate Similarity	NPC86774
0.8082	Intermediate Similarity	NPC146388
0.8077	Intermediate Similarity	NPC478121
0.8077	Intermediate Similarity	NPC474874
0.8071	Intermediate Similarity	NPC98804
0.8056	Intermediate Similarity	NPC169942
0.8045	Intermediate Similarity	NPC248557
0.803	Intermediate Similarity	NPC302211
0.8027	Intermediate Similarity	NPC146014
0.8015	Intermediate Similarity	NPC473019
0.8014	Intermediate Similarity	NPC327612
0.8014	Intermediate Similarity	NPC202260
0.8014	Intermediate Similarity	NPC307883
0.8014	Intermediate Similarity	NPC148738
0.8014	Intermediate Similarity	NPC73078
0.8014	Intermediate Similarity	NPC319870
0.8	Intermediate Similarity	NPC264976
0.8	Intermediate Similarity	NPC42657
0.7987	Intermediate Similarity	NPC44606
0.7985	Intermediate Similarity	NPC137416
0.7971	Intermediate Similarity	NPC312560
0.7959	Intermediate Similarity	NPC471852
0.7958	Intermediate Similarity	NPC476191
0.7956	Intermediate Similarity	NPC196621
0.7956	Intermediate Similarity	NPC2989
0.7943	Intermediate Similarity	NPC471542
0.7941	Intermediate Similarity	NPC2401
0.7941	Intermediate Similarity	NPC47288
0.7941	Intermediate Similarity	NPC81261
0.7931	Intermediate Similarity	NPC295696
0.7929	Intermediate Similarity	NPC475011
0.7929	Intermediate Similarity	NPC61499
0.792	Intermediate Similarity	NPC259554
0.792	Intermediate Similarity	NPC234639
0.7902	Intermediate Similarity	NPC183642
0.7902	Intermediate Similarity	NPC310370
0.7899	Intermediate Similarity	NPC474246
0.7899	Intermediate Similarity	NPC474143
0.7895	Intermediate Similarity	NPC152946
0.7891	Intermediate Similarity	NPC142863
0.7883	Intermediate Similarity	NPC131684
0.7879	Intermediate Similarity	NPC32322
0.7879	Intermediate Similarity	NPC259703
0.7874	Intermediate Similarity	NPC280760
0.7872	Intermediate Similarity	NPC246177
0.7872	Intermediate Similarity	NPC307401
0.7872	Intermediate Similarity	NPC317045
0.7872	Intermediate Similarity	NPC471670
0.7868	Intermediate Similarity	NPC473993
0.7868	Intermediate Similarity	NPC37512
0.7868	Intermediate Similarity	NPC223807
0.7863	Intermediate Similarity	NPC471449
0.7857	Intermediate Similarity	NPC68779
0.7857	Intermediate Similarity	NPC5310
0.7857	Intermediate Similarity	NPC194970
0.7857	Intermediate Similarity	NPC300776
0.7857	Intermediate Similarity	NPC4982
0.7857	Intermediate Similarity	NPC477210
0.7857	Intermediate Similarity	NPC176814
0.7852	Intermediate Similarity	NPC279118
0.7847	Intermediate Similarity	NPC184053
0.7846	Intermediate Similarity	NPC238176
0.7846	Intermediate Similarity	NPC187993
0.7842	Intermediate Similarity	NPC329427
0.7842	Intermediate Similarity	NPC251549
0.7842	Intermediate Similarity	NPC118253
0.7842	Intermediate Similarity	NPC317601
0.7838	Intermediate Similarity	NPC474306
0.7838	Intermediate Similarity	NPC475848
0.7838	Intermediate Similarity	NPC95526
0.7836	Intermediate Similarity	NPC320287
0.7832	Intermediate Similarity	NPC71903
0.7832	Intermediate Similarity	NPC473988
0.7829	Intermediate Similarity	NPC473718
0.7826	Intermediate Similarity	NPC475880
0.7823	Intermediate Similarity	NPC58752
0.7823	Intermediate Similarity	NPC211565
0.7823	Intermediate Similarity	NPC60389
0.782	Intermediate Similarity	NPC168707
0.782	Intermediate Similarity	NPC475839
0.782	Intermediate Similarity	NPC48623
0.7817	Intermediate Similarity	NPC6100
0.7817	Intermediate Similarity	NPC470721
0.7817	Intermediate Similarity	NPC470722
0.7817	Intermediate Similarity	NPC131198
0.7817	Intermediate Similarity	NPC156888
0.7815	Intermediate Similarity	NPC477691
0.7812	Intermediate Similarity	NPC141003
0.7812	Intermediate Similarity	NPC35344
0.7808	Intermediate Similarity	NPC290038
0.7808	Intermediate Similarity	NPC471305
0.7808	Intermediate Similarity	NPC260152
0.7803	Intermediate Similarity	NPC168050
0.7801	Intermediate Similarity	NPC291119
0.7801	Intermediate Similarity	NPC281169
0.7801	Intermediate Similarity	NPC113295
0.7795	Intermediate Similarity	NPC233238
0.7786	Intermediate Similarity	NPC54503
0.7786	Intermediate Similarity	NPC55147
0.7786	Intermediate Similarity	NPC293424
0.7785	Intermediate Similarity	NPC474305
0.7778	Intermediate Similarity	NPC29599
0.7778	Intermediate Similarity	NPC158542
0.7778	Intermediate Similarity	NPC170812
0.7778	Intermediate Similarity	NPC138149
0.7778	Intermediate Similarity	NPC61685
0.7778	Intermediate Similarity	NPC265413
0.7778	Intermediate Similarity	NPC10154
0.777	Intermediate Similarity	NPC153019
0.777	Intermediate Similarity	NPC196979
0.777	Intermediate Similarity	NPC470757
0.777	Intermediate Similarity	NPC164295
0.777	Intermediate Similarity	NPC470976
0.777	Intermediate Similarity	NPC470977
0.777	Intermediate Similarity	NPC239134
0.7769	Intermediate Similarity	NPC69539
0.7769	Intermediate Similarity	NPC312105
0.7769	Intermediate Similarity	NPC33717
0.7763	Intermediate Similarity	NPC159692
0.7762	Intermediate Similarity	NPC221046
0.7762	Intermediate Similarity	NPC475028
0.7762	Intermediate Similarity	NPC476025
0.7761	Intermediate Similarity	NPC150026
0.7761	Intermediate Similarity	NPC46634
0.7755	Intermediate Similarity	NPC470673
0.7755	Intermediate Similarity	NPC117716
0.7755	Intermediate Similarity	NPC471608
0.7755	Intermediate Similarity	NPC470674
0.7754	Intermediate Similarity	NPC241354
0.7752	Intermediate Similarity	NPC221275
0.7748	Intermediate Similarity	NPC477690
0.7744	Intermediate Similarity	NPC129176
0.7744	Intermediate Similarity	NPC45663
0.7744	Intermediate Similarity	NPC322569
0.7742	Intermediate Similarity	NPC473393
0.774	Intermediate Similarity	NPC158871
0.774	Intermediate Similarity	NPC251372
0.7737	Intermediate Similarity	NPC121104
0.7737	Intermediate Similarity	NPC156298
0.7734	Intermediate Similarity	NPC199462
0.7734	Intermediate Similarity	NPC286222
0.7733	Intermediate Similarity	NPC158866
0.7733	Intermediate Similarity	NPC231668
0.7733	Intermediate Similarity	NPC119252
0.773	Intermediate Similarity	NPC37065
0.7727	Intermediate Similarity	NPC239118
0.7727	Intermediate Similarity	NPC4950
0.7727	Intermediate Similarity	NPC472593
0.7727	Intermediate Similarity	NPC472299
0.7727	Intermediate Similarity	NPC218818
0.7727	Intermediate Similarity	NPC51341
0.7724	Intermediate Similarity	NPC93640
0.7724	Intermediate Similarity	NPC20631
0.7721	Intermediate Similarity	NPC3221
0.7721	Intermediate Similarity	NPC165556
0.7721	Intermediate Similarity	NPC170749
0.7721	Intermediate Similarity	NPC4286
0.7721	Intermediate Similarity	NPC81641

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475102 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	248
0.1-0.2	916
0.2-0.3	1201
0.3-0.4	2262
0.4-0.5	2248
0.5-0.6	1317
0.6-0.7	766
0.7-0.8	190
0.8-0.85	12
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8667	High Similarity	NPD2799	Discontinued
0.8467	Intermediate Similarity	NPD4477	Approved
0.8467	Intermediate Similarity	NPD4476	Approved
0.8321	Intermediate Similarity	NPD1283	Approved
0.8296	Intermediate Similarity	NPD8032	Phase 2
0.8258	Intermediate Similarity	NPD2797	Approved
0.8175	Intermediate Similarity	NPD6355	Discontinued
0.8168	Intermediate Similarity	NPD1608	Approved
0.8148	Intermediate Similarity	NPD7095	Approved
0.814	Intermediate Similarity	NPD5585	Approved
0.8102	Intermediate Similarity	NPD4060	Phase 1
0.8092	Intermediate Similarity	NPD1281	Approved
0.8014	Intermediate Similarity	NPD2346	Discontinued
0.7972	Intermediate Similarity	NPD7003	Approved
0.7971	Intermediate Similarity	NPD2979	Phase 3
0.7971	Intermediate Similarity	NPD4140	Approved
0.7956	Intermediate Similarity	NPD3268	Approved
0.7956	Intermediate Similarity	NPD2313	Discontinued
0.7956	Intermediate Similarity	NPD6798	Discontinued
0.7939	Intermediate Similarity	NPD17	Approved
0.7939	Intermediate Similarity	NPD1778	Approved
0.7939	Intermediate Similarity	NPD4626	Approved
0.7923	Intermediate Similarity	NPD1894	Discontinued
0.7891	Intermediate Similarity	NPD7427	Discontinued
0.7887	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7863	Intermediate Similarity	NPD5691	Approved
0.7863	Intermediate Similarity	NPD1651	Approved
0.7847	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7847	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7847	Intermediate Similarity	NPD4110	Phase 3
0.7836	Intermediate Similarity	NPD4359	Approved
0.7826	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7823	Intermediate Similarity	NPD6273	Approved
0.782	Intermediate Similarity	NPD1535	Discovery
0.782	Intermediate Similarity	NPD1611	Approved
0.7817	Intermediate Similarity	NPD6100	Approved
0.7817	Intermediate Similarity	NPD2935	Discontinued
0.7817	Intermediate Similarity	NPD6099	Approved
0.781	Intermediate Similarity	NPD2614	Approved
0.7801	Intermediate Similarity	NPD7097	Phase 1
0.7761	Intermediate Similarity	NPD1481	Phase 2
0.7744	Intermediate Similarity	NPD3496	Discontinued
0.7734	Intermediate Similarity	NPD5535	Approved
0.7721	Intermediate Similarity	NPD3267	Approved
0.7721	Intermediate Similarity	NPD3266	Approved
0.7708	Intermediate Similarity	NPD4534	Discontinued
0.7692	Intermediate Similarity	NPD6671	Approved
0.766	Intermediate Similarity	NPD4618	Approved
0.766	Intermediate Similarity	NPD4622	Approved
0.7655	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD6233	Phase 2
0.7639	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7639	Intermediate Similarity	NPD6002	Phase 3
0.7639	Intermediate Similarity	NPD6005	Phase 3
0.7639	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7639	Intermediate Similarity	NPD6004	Phase 3
0.7612	Intermediate Similarity	NPD3847	Discontinued
0.7603	Intermediate Similarity	NPD4628	Phase 3
0.76	Intermediate Similarity	NPD2370	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD7644	Approved
0.7574	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7569	Intermediate Similarity	NPD2531	Phase 2
0.7569	Intermediate Similarity	NPD2438	Suspended
0.7552	Intermediate Similarity	NPD5688	Approved
0.7552	Intermediate Similarity	NPD5689	Approved
0.755	Intermediate Similarity	NPD3226	Approved
0.7537	Intermediate Similarity	NPD3019	Approved
0.7537	Intermediate Similarity	NPD2932	Approved
0.7536	Intermediate Similarity	NPD2798	Approved
0.7518	Intermediate Similarity	NPD4870	Approved
0.7518	Intermediate Similarity	NPD4062	Phase 3
0.7518	Intermediate Similarity	NPD6663	Approved
0.7518	Intermediate Similarity	NPD6696	Suspended
0.7517	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4308	Phase 3
0.7483	Intermediate Similarity	NPD3750	Approved
0.7482	Intermediate Similarity	NPD5736	Approved
0.7468	Intermediate Similarity	NPD7819	Suspended
0.7468	Intermediate Similarity	NPD7229	Phase 3
0.7466	Intermediate Similarity	NPD5958	Discontinued
0.7464	Intermediate Similarity	NPD987	Approved
0.7451	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD6032	Approved
0.7447	Intermediate Similarity	NPD7985	Registered
0.7445	Intermediate Similarity	NPD5327	Phase 3
0.7434	Intermediate Similarity	NPD7458	Discontinued
0.7434	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7424	Intermediate Similarity	NPD7157	Approved
0.741	Intermediate Similarity	NPD4624	Approved
0.7405	Intermediate Similarity	NPD1241	Discontinued
0.7405	Intermediate Similarity	NPD8127	Discontinued
0.7397	Intermediate Similarity	NPD2344	Approved
0.7397	Intermediate Similarity	NPD5763	Approved
0.7397	Intermediate Similarity	NPD5762	Approved
0.7383	Intermediate Similarity	NPD6666	Approved
0.7383	Intermediate Similarity	NPD6667	Approved
0.7379	Intermediate Similarity	NPD3748	Approved
0.7379	Intermediate Similarity	NPD7033	Discontinued
0.7376	Intermediate Similarity	NPD4625	Phase 3
0.7372	Intermediate Similarity	NPD3972	Approved
0.7372	Intermediate Similarity	NPD9717	Approved
0.7368	Intermediate Similarity	NPD7340	Approved
0.7365	Intermediate Similarity	NPD7976	Clinical (unspecified phase)
0.7361	Intermediate Similarity	NPD6353	Approved
0.7357	Intermediate Similarity	NPD2861	Phase 2
0.7351	Intermediate Similarity	NPD5049	Phase 3
0.7347	Intermediate Similarity	NPD2424	Discontinued
0.7343	Intermediate Similarity	NPD4307	Phase 2
0.7338	Intermediate Similarity	NPD1203	Approved
0.7324	Intermediate Similarity	NPD3764	Approved
0.7324	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD6832	Phase 2
0.7299	Intermediate Similarity	NPD422	Phase 1
0.7292	Intermediate Similarity	NPD1184	Approved
0.7292	Intermediate Similarity	NPD447	Suspended
0.7292	Intermediate Similarity	NPD5735	Approved
0.7287	Intermediate Similarity	NPD2684	Approved
0.7286	Intermediate Similarity	NPD5647	Approved
0.7285	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD6502	Phase 2
0.7273	Intermediate Similarity	NPD1398	Phase 1
0.7266	Intermediate Similarity	NPD8651	Approved
0.7266	Intermediate Similarity	NPD3134	Approved
0.7266	Intermediate Similarity	NPD3225	Approved
0.7266	Intermediate Similarity	NPD1876	Approved
0.7248	Intermediate Similarity	NPD8166	Discontinued
0.7246	Intermediate Similarity	NPD2232	Approved
0.7246	Intermediate Similarity	NPD2233	Approved
0.7246	Intermediate Similarity	NPD2230	Approved
0.7244	Intermediate Similarity	NPD8455	Phase 2
0.7241	Intermediate Similarity	NPD6653	Approved
0.7241	Intermediate Similarity	NPD4097	Suspended
0.723	Intermediate Similarity	NPD2897	Discontinued
0.723	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7226	Intermediate Similarity	NPD3023	Approved
0.7226	Intermediate Similarity	NPD3026	Approved
0.7214	Intermediate Similarity	NPD6362	Approved
0.7211	Intermediate Similarity	NPD2862	Discontinued
0.7206	Intermediate Similarity	NPD3443	Approved
0.7206	Intermediate Similarity	NPD3444	Approved
0.7206	Intermediate Similarity	NPD3445	Approved
0.7206	Intermediate Similarity	NPD3025	Approved
0.7206	Intermediate Similarity	NPD3024	Approved
0.7203	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD1296	Phase 2
0.72	Intermediate Similarity	NPD2309	Approved
0.7194	Intermediate Similarity	NPD4749	Approved
0.7188	Intermediate Similarity	NPD9697	Approved
0.7183	Intermediate Similarity	NPD4908	Phase 1
0.7181	Intermediate Similarity	NPD2800	Approved
0.7179	Intermediate Similarity	NPD37	Approved
0.7174	Intermediate Similarity	NPD1610	Phase 2
0.7172	Intermediate Similarity	NPD5124	Phase 1
0.7172	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD2533	Approved
0.7171	Intermediate Similarity	NPD2532	Approved
0.7171	Intermediate Similarity	NPD2534	Approved
0.7162	Intermediate Similarity	NPD6800	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD7028	Phase 2
0.7161	Intermediate Similarity	NPD6599	Discontinued
0.7153	Intermediate Similarity	NPD2667	Approved
0.7153	Intermediate Similarity	NPD2668	Approved
0.7152	Intermediate Similarity	NPD4967	Phase 2
0.7152	Intermediate Similarity	NPD4966	Approved
0.7152	Intermediate Similarity	NPD4965	Approved
0.7152	Intermediate Similarity	NPD7768	Phase 2
0.7143	Intermediate Similarity	NPD5283	Phase 1
0.7134	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD5163	Phase 2
0.7123	Intermediate Similarity	NPD2157	Approved
0.7123	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD6677	Suspended
0.7115	Intermediate Similarity	NPD7411	Suspended
0.7114	Intermediate Similarity	NPD7974	Phase 3
0.7114	Intermediate Similarity	NPD7596	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD454	Approved
0.7113	Intermediate Similarity	NPD2237	Approved
0.709	Intermediate Similarity	NPD2629	Approved
0.7086	Intermediate Similarity	NPD2354	Approved
0.7083	Intermediate Similarity	NPD411	Approved
0.7081	Intermediate Similarity	NPD7199	Phase 2
0.7075	Intermediate Similarity	NPD1536	Approved
0.7068	Intermediate Similarity	NPD7843	Approved
0.7067	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD6234	Discontinued
0.7063	Intermediate Similarity	NPD3020	Approved
0.7059	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.705	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7042	Intermediate Similarity	NPD3690	Phase 2
0.7042	Intermediate Similarity	NPD3691	Phase 2
0.7042	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD6387	Discontinued
0.7037	Intermediate Similarity	NPD6232	Discontinued
0.7037	Intermediate Similarity	NPD709	Approved
0.7037	Intermediate Similarity	NPD7315	Approved
0.703	Intermediate Similarity	NPD5844	Phase 1
0.7025	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7012	Intermediate Similarity	NPD7473	Discontinued

Structure

NPC475102 OpenBabel07101719512D 23 25 0 0 1 0 0 0 0 0999 V2000 -4.5299 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4004 -1.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 -2.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2185 -1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5139 -0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5355 0.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9749 -2.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5382 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5139 -1.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 -0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9665 -0.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9693 -0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 -1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9749 -0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7818 -1.6235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1479 -2.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 -2.1235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7818 -0.6235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6479 -3.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1479 -2.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 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 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 16 23 1 0 0 0 0 17 19 1 6 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 3 1 6 0 0 0 20 4 1 6 0 0 0 20 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44583742
ChEMBL	CHEMBL497891
ZINC

Physicochemical Properties

Molecular Weight:	316.20
ALogP:	0.9195
MLogP:	3.33
XLogP:	5.319
# Rotatable Bonds:	7
Polar Surface Area:	46.53
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	23

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