NPASS Natural Product

Natural Product: NPC85511

Natural Product ID:	NPC85511
Common Name:	Methyl 15-Hydroxy-7-Oxo-Dehydroabietate
IUPAC Name:	methyl (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
Synonyms:
Molecular Formula:	C21H28O4
Standard InCHIKey:	VGWVMAMFNRSDED-DUXKGJEZSA-N
Standard InCHI:	InChI=1S/C21H28O4/c1-19(2,24)13-7-8-15-14(11-13)16(22)12-17-20(15,3)9-6-10-21(17,4)18(23)25-5/h7-8,11,17,24H,6,9-10,12H2,1-5H3/t17-,20-,21-/m1/s1
Canonical SMILES:	COC(=O)[C@]1(C)CCC[C@]2([C@H]1CC(=O)c1c2ccc(c1)C(O)(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	=	72.9	%	26653328
NPT2	Others	Unspecified		Inhibition	=	95	%	21872367
NPT2	Others	Unspecified		Inhibition	=	28.1	%	11908979
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	70	%	2045817
NPT2	Others	Unspecified		Inhibition	=	0	%	17088477

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 NPC85511 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	179
0.1-0.2	938
0.2-0.3	1373
0.3-0.4	3571
0.4-0.5	7767
0.5-0.6	9949
0.6-0.7	5746
0.7-0.8	1258
0.8-0.85	88
0.85-0.9	15
0.9-0.95	3
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9828	High Similarity	NPC167323
0.9828	High Similarity	NPC269923
0.9344	High Similarity	NPC115797
0.9344	High Similarity	NPC51448
0.9052	High Similarity	NPC471721
0.8983	High Similarity	NPC158157
0.8966	High Similarity	NPC93287
0.8879	High Similarity	NPC280789
0.8793	High Similarity	NPC95126
0.8793	High Similarity	NPC475002
0.877	High Similarity	NPC472981
0.8667	High Similarity	NPC212891
0.8655	High Similarity	NPC186933
0.8655	High Similarity	NPC221275
0.8607	High Similarity	NPC202015
0.8559	High Similarity	NPC66208
0.8548	High Similarity	NPC293831
0.8548	High Similarity	NPC369
0.85	High Similarity	NPC476357
0.85	High Similarity	NPC215419
0.8475	Intermediate Similarity	NPC474057
0.8475	Intermediate Similarity	NPC265513
0.8443	Intermediate Similarity	NPC45794
0.8417	Intermediate Similarity	NPC196673
0.8413	Intermediate Similarity	NPC328107
0.8403	Intermediate Similarity	NPC471188
0.8387	Intermediate Similarity	NPC183339
0.8387	Intermediate Similarity	NPC234337
0.8387	Intermediate Similarity	NPC133389
0.8361	Intermediate Similarity	NPC242764
0.8361	Intermediate Similarity	NPC105141
0.8359	Intermediate Similarity	NPC253681
0.8359	Intermediate Similarity	NPC474106
0.8346	Intermediate Similarity	NPC295664
0.8305	Intermediate Similarity	NPC318327
0.8281	Intermediate Similarity	NPC275576
0.8281	Intermediate Similarity	NPC470765
0.8268	Intermediate Similarity	NPC228739
0.8217	Intermediate Similarity	NPC473220
0.8217	Intermediate Similarity	NPC470753
0.8217	Intermediate Similarity	NPC169913
0.8197	Intermediate Similarity	NPC93181
0.8197	Intermediate Similarity	NPC274839
0.8195	Intermediate Similarity	NPC477139
0.8195	Intermediate Similarity	NPC329913
0.8195	Intermediate Similarity	NPC126516
0.8182	Intermediate Similarity	NPC143768
0.8175	Intermediate Similarity	NPC315578
0.8167	Intermediate Similarity	NPC133308
0.816	Intermediate Similarity	NPC476645
0.816	Intermediate Similarity	NPC204784
0.8154	Intermediate Similarity	NPC78364
0.8154	Intermediate Similarity	NPC69424
0.8154	Intermediate Similarity	NPC84672
0.8154	Intermediate Similarity	NPC176130
0.8148	Intermediate Similarity	NPC472308
0.8145	Intermediate Similarity	NPC80605
0.8145	Intermediate Similarity	NPC323440
0.8145	Intermediate Similarity	NPC222968
0.8136	Intermediate Similarity	NPC94751
0.8136	Intermediate Similarity	NPC142326
0.8134	Intermediate Similarity	NPC202225
0.8134	Intermediate Similarity	NPC23894
0.8134	Intermediate Similarity	NPC474659
0.8125	Intermediate Similarity	NPC318067
0.8125	Intermediate Similarity	NPC51079
0.8106	Intermediate Similarity	NPC108129
0.8106	Intermediate Similarity	NPC472692
0.8106	Intermediate Similarity	NPC472682
0.8103	Intermediate Similarity	NPC304873
0.8103	Intermediate Similarity	NPC25458
0.8102	Intermediate Similarity	NPC26924
0.8099	Intermediate Similarity	NPC292834
0.8092	Intermediate Similarity	NPC229894
0.8088	Intermediate Similarity	NPC475957
0.808	Intermediate Similarity	NPC472697
0.808	Intermediate Similarity	NPC472698
0.808	Intermediate Similarity	NPC254233
0.8074	Intermediate Similarity	NPC477596
0.8067	Intermediate Similarity	NPC249811
0.8065	Intermediate Similarity	NPC469843
0.8051	Intermediate Similarity	NPC105899
0.8051	Intermediate Similarity	NPC471186
0.8049	Intermediate Similarity	NPC474095
0.8045	Intermediate Similarity	NPC18798
0.8045	Intermediate Similarity	NPC471851
0.8034	Intermediate Similarity	NPC255676
0.8034	Intermediate Similarity	NPC247976
0.8034	Intermediate Similarity	NPC329556
0.8033	Intermediate Similarity	NPC470253
0.8031	Intermediate Similarity	NPC476234
0.803	Intermediate Similarity	NPC117899
0.803	Intermediate Similarity	NPC303910
0.803	Intermediate Similarity	NPC276238
0.803	Intermediate Similarity	NPC471832
0.8028	Intermediate Similarity	NPC5568
0.8017	Intermediate Similarity	NPC133809
0.8017	Intermediate Similarity	NPC136810
0.8017	Intermediate Similarity	NPC225079
0.8017	Intermediate Similarity	NPC128248
0.8016	Intermediate Similarity	NPC472708
0.8015	Intermediate Similarity	NPC72667
0.8	Intermediate Similarity	NPC477893
0.8	Intermediate Similarity	NPC228318
0.8	Intermediate Similarity	NPC477594
0.8	Intermediate Similarity	NPC478107
0.8	Intermediate Similarity	NPC470649
0.8	Intermediate Similarity	NPC477896
0.7984	Intermediate Similarity	NPC472704
0.7983	Intermediate Similarity	NPC100767
0.7967	Intermediate Similarity	NPC234637
0.7967	Intermediate Similarity	NPC130591
0.7967	Intermediate Similarity	NPC326664
0.7966	Intermediate Similarity	NPC472221
0.7966	Intermediate Similarity	NPC472222
0.7966	Intermediate Similarity	NPC329282
0.7956	Intermediate Similarity	NPC477592
0.7955	Intermediate Similarity	NPC193203
0.7953	Intermediate Similarity	NPC77000
0.7953	Intermediate Similarity	NPC238861
0.7953	Intermediate Similarity	NPC232958
0.7949	Intermediate Similarity	NPC284477
0.7939	Intermediate Similarity	NPC254492
0.7937	Intermediate Similarity	NPC318173
0.7931	Intermediate Similarity	NPC221825
0.7931	Intermediate Similarity	NPC217621
0.7926	Intermediate Similarity	NPC78307
0.7926	Intermediate Similarity	NPC203486
0.7926	Intermediate Similarity	NPC310662
0.7917	Intermediate Similarity	NPC474310
0.7907	Intermediate Similarity	NPC223351
0.7907	Intermediate Similarity	NPC472703
0.7899	Intermediate Similarity	NPC4214
0.7899	Intermediate Similarity	NPC477593
0.7895	Intermediate Similarity	NPC171460
0.7895	Intermediate Similarity	NPC262819
0.7895	Intermediate Similarity	NPC25736
0.7886	Intermediate Similarity	NPC471481
0.7881	Intermediate Similarity	NPC19856
0.7872	Intermediate Similarity	NPC66593
0.7869	Intermediate Similarity	NPC210089
0.7863	Intermediate Similarity	NPC137416
0.7862	Intermediate Similarity	NPC315520
0.7857	Intermediate Similarity	NPC477894
0.7857	Intermediate Similarity	NPC477595
0.7852	Intermediate Similarity	NPC472656
0.7846	Intermediate Similarity	NPC77691
0.7846	Intermediate Similarity	NPC140118
0.7846	Intermediate Similarity	NPC12881
0.7846	Intermediate Similarity	NPC472681
0.7846	Intermediate Similarity	NPC275145
0.7845	Intermediate Similarity	NPC229242
0.7836	Intermediate Similarity	NPC72915
0.7833	Intermediate Similarity	NPC37914
0.7823	Intermediate Similarity	NPC294458
0.7823	Intermediate Similarity	NPC153053
0.782	Intermediate Similarity	NPC96024
0.782	Intermediate Similarity	NPC3009
0.7812	Intermediate Similarity	NPC473243
0.781	Intermediate Similarity	NPC80035
0.7805	Intermediate Similarity	NPC218855
0.7794	Intermediate Similarity	NPC115458
0.7794	Intermediate Similarity	NPC111845
0.7794	Intermediate Similarity	NPC48929
0.7786	Intermediate Similarity	NPC470035
0.7786	Intermediate Similarity	NPC199273
0.7786	Intermediate Similarity	NPC472694
0.7786	Intermediate Similarity	NPC472693
0.7778	Intermediate Similarity	NPC228435
0.7769	Intermediate Similarity	NPC121168
0.7769	Intermediate Similarity	NPC273336
0.7769	Intermediate Similarity	NPC182333
0.7761	Intermediate Similarity	NPC131684
0.7761	Intermediate Similarity	NPC82712
0.7761	Intermediate Similarity	NPC147561
0.776	Intermediate Similarity	NPC228936
0.776	Intermediate Similarity	NPC217111
0.776	Intermediate Similarity	NPC306740
0.7759	Intermediate Similarity	NPC226041
0.7759	Intermediate Similarity	NPC253423
0.7754	Intermediate Similarity	NPC474311
0.7752	Intermediate Similarity	NPC144547
0.7746	Intermediate Similarity	NPC100242
0.7746	Intermediate Similarity	NPC127857
0.7744	Intermediate Similarity	NPC316553
0.7744	Intermediate Similarity	NPC268607
0.7742	Intermediate Similarity	NPC128368
0.7737	Intermediate Similarity	NPC288089
0.7734	Intermediate Similarity	NPC42657
0.7727	Intermediate Similarity	NPC9180
0.7727	Intermediate Similarity	NPC100402
0.7717	Intermediate Similarity	NPC268930
0.7712	Intermediate Similarity	NPC109514
0.7705	Intermediate Similarity	NPC470252
0.7705	Intermediate Similarity	NPC85493
0.7698	Intermediate Similarity	NPC118366
0.7698	Intermediate Similarity	NPC135730
0.7692	Intermediate Similarity	NPC162935
0.7692	Intermediate Similarity	NPC249340
0.7687	Intermediate Similarity	NPC48248

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC85511 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	187
0.1-0.2	828
0.2-0.3	1125
0.3-0.4	2370
0.4-0.5	2560
0.5-0.6	1570
0.6-0.7	421
0.7-0.8	92
0.8-0.85	6
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8974	High Similarity	NPD5951	Approved
0.8537	High Similarity	NPD7163	Clinical (unspecified phase)
0.845	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.8308	Intermediate Similarity	NPD7008	Discontinued
0.8305	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.8034	Intermediate Similarity	NPD1931	Clinical (unspecified phase)
0.8034	Intermediate Similarity	NPD1929	Approved
0.8034	Intermediate Similarity	NPD1930	Approved
0.7953	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7931	Intermediate Similarity	NPD2066	Phase 3
0.7869	Intermediate Similarity	NPD4141	Clinical (unspecified phase)
0.7746	Intermediate Similarity	NPD7236	Approved
0.773	Intermediate Similarity	NPD7003	Approved
0.7619	Intermediate Similarity	NPD2629	Approved
0.7607	Intermediate Similarity	NPD3495	Discontinued
0.7603	Intermediate Similarity	NPD7239	Suspended
0.7578	Intermediate Similarity	NPD7610	Discontinued
0.7557	Intermediate Similarity	NPD6287	Discontinued
0.7551	Intermediate Similarity	NPD7458	Discontinued
0.752	Intermediate Similarity	NPD1609	Clinical (unspecified phase)
0.7518	Intermediate Similarity	NPD7961	Discontinued
0.75	Intermediate Similarity	NPD1932	Approved
0.75	Intermediate Similarity	NPD4878	Approved
0.744	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.7422	Intermediate Similarity	NPD4198	Discontinued
0.7419	Intermediate Similarity	NPD2182	Approved
0.7419	Intermediate Similarity	NPD2329	Discontinued
0.7414	Intermediate Similarity	NPD1088	Approved
0.7413	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.7405	Intermediate Similarity	NPD3019	Approved
0.7385	Intermediate Similarity	NPD7009	Phase 2
0.7377	Intermediate Similarity	NPD1237	Approved
0.7377	Intermediate Similarity	NPD164	Approved
0.735	Intermediate Similarity	NPD5122	Clinical (unspecified phase)
0.7348	Intermediate Similarity	NPD7457	Clinical (unspecified phase)
0.7328	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD5406	Approved
0.7324	Intermediate Similarity	NPD5408	Approved
0.7324	Intermediate Similarity	NPD5405	Approved
0.7324	Intermediate Similarity	NPD5404	Approved
0.7323	Intermediate Similarity	NPD6858	Approved
0.7323	Intermediate Similarity	NPD7094	Approved
0.7319	Intermediate Similarity	NPD3764	Approved
0.7315	Intermediate Similarity	NPD3226	Approved
0.7313	Intermediate Similarity	NPD182	Clinical (unspecified phase)
0.7288	Intermediate Similarity	NPD1693	Approved
0.7288	Intermediate Similarity	NPD688	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD2346	Discontinued
0.7273	Intermediate Similarity	NPD7702	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD2932	Approved
0.7266	Intermediate Similarity	NPD6663	Approved
0.7266	Intermediate Similarity	NPD7714	Approved
0.7266	Intermediate Similarity	NPD7715	Approved
0.7246	Intermediate Similarity	NPD6966	Discovery
0.7241	Intermediate Similarity	NPD9258	Approved
0.7241	Intermediate Similarity	NPD1089	Approved
0.7241	Intermediate Similarity	NPD9256	Approved
0.7241	Intermediate Similarity	NPD8166	Discontinued
0.7241	Intermediate Similarity	NPD4628	Phase 3
0.7241	Intermediate Similarity	NPD1086	Approved
0.7241	Intermediate Similarity	NPD1090	Approved
0.7239	Intermediate Similarity	NPD3972	Approved
0.7236	Intermediate Similarity	NPD5909	Discontinued
0.7226	Intermediate Similarity	NPD5736	Approved
0.7206	Intermediate Similarity	NPD1470	Approved
0.7203	Intermediate Similarity	NPD1202	Approved
0.7164	Intermediate Similarity	NPD1201	Approved
0.7155	Intermediate Similarity	NPD800	Approved
0.7154	Intermediate Similarity	NPD6647	Phase 2
0.7143	Intermediate Similarity	NPD6048	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7058	Phase 2
0.7143	Intermediate Similarity	NPD7057	Phase 3
0.7143	Intermediate Similarity	NPD6049	Phase 2
0.7133	Intermediate Similarity	NPD7305	Phase 1
0.7133	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD1283	Approved
0.7114	Intermediate Similarity	NPD6273	Approved
0.709	Intermediate Similarity	NPD4879	Approved
0.709	Intermediate Similarity	NPD3023	Approved
0.709	Intermediate Similarity	NPD3026	Approved
0.7087	Intermediate Similarity	NPD1317	Discontinued
0.7086	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD1989	Approved
0.7077	Intermediate Similarity	NPD690	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD3268	Approved
0.7068	Intermediate Similarity	NPD3024	Approved
0.7068	Intermediate Similarity	NPD3025	Approved
0.7049	Intermediate Similarity	NPD1238	Approved
0.7034	Intermediate Similarity	NPD1239	Approved
0.7025	Intermediate Similarity	NPD1566	Phase 3
0.7025	Intermediate Similarity	NPD1564	Approved
0.7025	Intermediate Similarity	NPD1565	Approved
0.7023	Intermediate Similarity	NPD3317	Approved
0.7016	Intermediate Similarity	NPD5700	Clinical (unspecified phase)
0.7015	Intermediate Similarity	NPD2345	Approved
0.7015	Intermediate Similarity	NPD5306	Approved
0.7015	Intermediate Similarity	NPD5305	Approved
0.7014	Intermediate Similarity	NPD2799	Discontinued
0.7	Intermediate Similarity	NPD6010	Discontinued
0.6983	Remote Similarity	NPD1087	Approved
0.6975	Remote Similarity	NPD7631	Approved
0.6974	Remote Similarity	NPD6591	Clinical (unspecified phase)
0.695	Remote Similarity	NPD2313	Discontinued
0.6912	Remote Similarity	NPD4807	Approved
0.6912	Remote Similarity	NPD1281	Approved
0.6912	Remote Similarity	NPD4806	Approved
0.6906	Remote Similarity	NPD4980	Approved
0.6906	Remote Similarity	NPD2798	Approved
0.6905	Remote Similarity	NPD5048	Discontinued
0.6897	Remote Similarity	NPD4308	Phase 3
0.6897	Remote Similarity	NPD9259	Approved
0.6897	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD9257	Approved
0.6891	Remote Similarity	NPD7609	Phase 3
0.6889	Remote Similarity	NPD4199	Phase 3
0.6883	Remote Similarity	NPD7411	Suspended
0.6875	Remote Similarity	NPD3528	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD7390	Discontinued
0.6866	Remote Similarity	NPD7741	Discontinued
0.6866	Remote Similarity	NPD9545	Approved
0.6852	Remote Similarity	NPD7799	Discontinued
0.6849	Remote Similarity	NPD2935	Discontinued
0.6846	Remote Similarity	NPD9508	Approved
0.6838	Remote Similarity	NPD4106	Approved
0.6838	Remote Similarity	NPD4136	Approved
0.6838	Remote Similarity	NPD4135	Approved
0.6835	Remote Similarity	NPD1164	Approved
0.6829	Remote Similarity	NPD9495	Approved
0.6815	Remote Similarity	NPD4102	Approved
0.6815	Remote Similarity	NPD4105	Approved
0.6812	Remote Similarity	NPD5158	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD5157	Phase 1
0.6812	Remote Similarity	NPD5159	Phase 2
0.6803	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6795	Remote Similarity	NPD7819	Suspended
0.6794	Remote Similarity	NPD5277	Phase 2
0.679	Remote Similarity	NPD7473	Discontinued
0.6786	Remote Similarity	NPD5740	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD6085	Phase 2
0.6783	Remote Similarity	NPD7713	Phase 3
0.6783	Remote Similarity	NPD8032	Phase 2
0.6779	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6777	Remote Similarity	NPD1563	Approved
0.6765	Remote Similarity	NPD4626	Approved
0.6763	Remote Similarity	NPD1876	Approved
0.6753	Remote Similarity	NPD5086	Approved
0.6742	Remote Similarity	NPD4869	Clinical (unspecified phase)
0.6739	Remote Similarity	NPD6637	Approved
0.6736	Remote Similarity	NPD2979	Phase 3
0.6716	Remote Similarity	NPD9493	Approved
0.6716	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD3266	Approved
0.6714	Remote Similarity	NPD2797	Approved
0.6714	Remote Similarity	NPD3267	Approved
0.6711	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6708	Remote Similarity	NPD6232	Discontinued
0.6695	Remote Similarity	NPD650	Approved
0.6691	Remote Similarity	NPD1651	Approved
0.6689	Remote Similarity	NPD3300	Phase 2
0.6667	Remote Similarity	NPD3750	Approved
0.6667	Remote Similarity	NPD5734	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5618	Discontinued
0.6646	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD7177	Discontinued
0.6643	Remote Similarity	NPD1888	Phase 1
0.6642	Remote Similarity	NPD1362	Clinical (unspecified phase)
0.6638	Remote Similarity	NPD9491	Approved
0.6638	Remote Similarity	NPD3971	Phase 1
0.6626	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6622	Remote Similarity	NPD6099	Approved
0.6622	Remote Similarity	NPD6100	Approved
0.6621	Remote Similarity	NPD4307	Phase 2
0.6619	Remote Similarity	NPD1608	Approved
0.6618	Remote Similarity	NPD3091	Approved
0.6606	Remote Similarity	NPD5844	Phase 1
0.6603	Remote Similarity	NPD6599	Discontinued
0.6601	Remote Similarity	NPD2532	Approved
0.6601	Remote Similarity	NPD2533	Approved
0.6601	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6601	Remote Similarity	NPD2534	Approved
0.6588	Remote Similarity	NPD8150	Discontinued
0.6583	Remote Similarity	NPD5347	Phase 2
0.6583	Remote Similarity	NPD5346	Phase 2
0.6577	Remote Similarity	NPD1471	Phase 3
0.6573	Remote Similarity	NPD4617	Approved
0.6573	Remote Similarity	NPD5201	Approved
0.6573	Remote Similarity	NPD5202	Clinical (unspecified phase)
0.6573	Remote Similarity	NPD5203	Approved
0.6573	Remote Similarity	NPD4620	Approved
0.6569	Remote Similarity	NPD1245	Approved
0.6541	Remote Similarity	NPD7635	Approved
0.6541	Remote Similarity	NPD8438	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD9264	Approved
0.6538	Remote Similarity	NPD9263	Approved
0.6538	Remote Similarity	NPD2342	Discontinued
0.6538	Remote Similarity	NPD9267	Approved
0.6536	Remote Similarity	NPD8165	Discontinued

Structure

NPC85511 OpenBabel07101718292D 25 27 0 0 1 0 0 0 0 0999 V2000 5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 1.1340 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 -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.8660 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 4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -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 -0.0000 -1.0000 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 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 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 2.5981 0.5000 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 0.8660 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0000 0.0000 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 1.7321 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 1 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 -1.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 5 25 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 15 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 20 1 0 0 0 0 16 22 2 0 0 0 0 17 20 1 6 0 0 0 17 21 1 0 0 0 0 18 21 1 0 0 0 0 18 23 2 0 0 0 0 18 25 1 0 0 0 0 19 24 1 0 0 0 0 20 3 1 6 0 0 0 21 4 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	11501085
ChEMBL	CHEMBL498067
ZINC

Physicochemical Properties

Molecular Weight:	344.20
ALogP:	0.1663
MLogP:	3.33
XLogP:	4.174
# Rotatable Bonds:	9
Polar Surface Area:	63.6
# H-Bond Aceptor:	4
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	25

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