NPASS Natural Product

Natural Product: NPC21929

Natural Product ID:	NPC21929
Common Name:	18-Succinyloxyabieta-8,11,13-Triene
IUPAC Name:	4-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methoxy]-4-oxobutanoic acid
Synonyms:
Molecular Formula:	C24H34O4
Standard InCHIKey:	FEUZNFQHDSTKOI-NKKJXINNSA-N
Standard InCHI:	InChI=1S/C24H34O4/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-28-22(27)11-10-21(25)26/h6,8,14,16,20H,5,7,9-13,15H2,1-4H3,(H,25,26)/t20-,23-,24+/m0/s1
Canonical SMILES:	OC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(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
NPO2882	Abies georgei	Species	Pinaceae	Eukaryota	Aerial parts	Zhongdian city, Yunnan Province of China		PMID[20022253]

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Cell Line	2
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	>	100	ug/ml	20151678
NPT2	Others	Unspecified		IC50	>	25	ug/ml	15217287
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	>	100	ug/ml	19104010
NPT114	Cell Line	LoVo	Homo sapiens	IC50	>	25	ug/ml	15026054

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 NPC21929 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	142
0.1-0.2	606
0.2-0.3	1402
0.3-0.4	3673
0.4-0.5	9180
0.5-0.6	13247
0.6-0.7	2363
0.7-0.8	246
0.8-0.85	14
0.85-0.9	13
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9167	High Similarity	NPC105141
0.9167	High Similarity	NPC242764
0.9	High Similarity	NPC254233
0.8919	High Similarity	NPC202015
0.8824	High Similarity	NPC136810
0.8824	High Similarity	NPC128248
0.8824	High Similarity	NPC133809
0.8762	High Similarity	NPC94751
0.8762	High Similarity	NPC142326
0.8725	High Similarity	NPC221825
0.8609	High Similarity	NPC273336
0.8609	High Similarity	NPC182333
0.8598	High Similarity	NPC475006
0.8534	High Similarity	NPC307139
0.8534	High Similarity	NPC77691
0.8529	High Similarity	NPC226041
0.8462	Intermediate Similarity	NPC225079
0.8407	Intermediate Similarity	NPC45794
0.84	Intermediate Similarity	NPC220596
0.8393	Intermediate Similarity	NPC9274
0.8319	Intermediate Similarity	NPC5486
0.8318	Intermediate Similarity	NPC471186
0.825	Intermediate Similarity	NPC51448
0.825	Intermediate Similarity	NPC115797
0.822	Intermediate Similarity	NPC328107
0.8158	Intermediate Similarity	NPC212891
0.8142	Intermediate Similarity	NPC221275
0.8108	Intermediate Similarity	NPC95126
0.8108	Intermediate Similarity	NPC475002
0.8	Intermediate Similarity	NPC324602
0.7965	Intermediate Similarity	NPC93287
0.7946	Intermediate Similarity	NPC265513
0.7944	Intermediate Similarity	NPC264728
0.7925	Intermediate Similarity	NPC120393
0.7917	Intermediate Similarity	NPC318067
0.7876	Intermediate Similarity	NPC471188
0.7876	Intermediate Similarity	NPC471189
0.7876	Intermediate Similarity	NPC280789
0.783	Intermediate Similarity	NPC469890
0.783	Intermediate Similarity	NPC469892
0.783	Intermediate Similarity	NPC469891
0.7807	Intermediate Similarity	NPC470253
0.7798	Intermediate Similarity	NPC19856
0.7787	Intermediate Similarity	NPC100402
0.7787	Intermediate Similarity	NPC9180
0.7769	Intermediate Similarity	NPC140118
0.7769	Intermediate Similarity	NPC12881
0.775	Intermediate Similarity	NPC369
0.775	Intermediate Similarity	NPC293831
0.7739	Intermediate Similarity	NPC471721
0.7736	Intermediate Similarity	NPC469893
0.7731	Intermediate Similarity	NPC183339
0.7731	Intermediate Similarity	NPC234337
0.7731	Intermediate Similarity	NPC133389
0.7727	Intermediate Similarity	NPC56168
0.77	Intermediate Similarity	NPC267704
0.7692	Intermediate Similarity	NPC470820
0.7692	Intermediate Similarity	NPC125226
0.7672	Intermediate Similarity	NPC215419
0.7672	Intermediate Similarity	NPC473869
0.7672	Intermediate Similarity	NPC217111
0.7638	Intermediate Similarity	NPC159811
0.7632	Intermediate Similarity	NPC133308
0.7627	Intermediate Similarity	NPC323440
0.7627	Intermediate Similarity	NPC222968
0.7627	Intermediate Similarity	NPC152812
0.7627	Intermediate Similarity	NPC80605
0.7623	Intermediate Similarity	NPC85511
0.7615	Intermediate Similarity	NPC469481
0.7603	Intermediate Similarity	NPC473889
0.7589	Intermediate Similarity	NPC244933
0.7589	Intermediate Similarity	NPC85560
0.7586	Intermediate Similarity	NPC294458
0.7581	Intermediate Similarity	NPC253681
0.7581	Intermediate Similarity	NPC169913
0.7568	Intermediate Similarity	NPC472222
0.7568	Intermediate Similarity	NPC329282
0.7568	Intermediate Similarity	NPC472221
0.7541	Intermediate Similarity	NPC473871
0.7541	Intermediate Similarity	NPC473870
0.7524	Intermediate Similarity	NPC86987
0.7522	Intermediate Similarity	NPC472979
0.7522	Intermediate Similarity	NPC27252
0.75	Intermediate Similarity	NPC469547
0.75	Intermediate Similarity	NPC275576
0.75	Intermediate Similarity	NPC477476
0.75	Intermediate Similarity	NPC470816
0.75	Intermediate Similarity	NPC243601
0.75	Intermediate Similarity	NPC477475
0.75	Intermediate Similarity	NPC476645
0.75	Intermediate Similarity	NPC298115
0.7479	Intermediate Similarity	NPC84129
0.7477	Intermediate Similarity	NPC172925
0.746	Intermediate Similarity	NPC225103
0.7459	Intermediate Similarity	NPC167323
0.7459	Intermediate Similarity	NPC269923
0.7456	Intermediate Similarity	NPC149455
0.7456	Intermediate Similarity	NPC64642
0.7456	Intermediate Similarity	NPC472982
0.7451	Intermediate Similarity	NPC475710
0.744	Intermediate Similarity	NPC171007
0.744	Intermediate Similarity	NPC190849
0.7429	Intermediate Similarity	NPC26224
0.7429	Intermediate Similarity	NPC274455
0.7429	Intermediate Similarity	NPC86670
0.7429	Intermediate Similarity	NPC70940
0.7426	Intermediate Similarity	NPC270507
0.7417	Intermediate Similarity	NPC318173
0.7417	Intermediate Similarity	NPC473860
0.7402	Intermediate Similarity	NPC473443
0.7402	Intermediate Similarity	NPC472388
0.7398	Intermediate Similarity	NPC478058
0.7398	Intermediate Similarity	NPC12016
0.7368	Intermediate Similarity	NPC472980
0.736	Intermediate Similarity	NPC476970
0.736	Intermediate Similarity	NPC470765
0.736	Intermediate Similarity	NPC475933
0.736	Intermediate Similarity	NPC470158
0.736	Intermediate Similarity	NPC137416
0.7355	Intermediate Similarity	NPC204784
0.735	Intermediate Similarity	NPC143768
0.7339	Intermediate Similarity	NPC469742
0.7339	Intermediate Similarity	NPC477767
0.7339	Intermediate Similarity	NPC470815
0.7339	Intermediate Similarity	NPC472373
0.7327	Intermediate Similarity	NPC15910
0.7327	Intermediate Similarity	NPC323103
0.7327	Intermediate Similarity	NPC103387
0.7321	Intermediate Similarity	NPC247976
0.7308	Intermediate Similarity	NPC329913
0.7302	Intermediate Similarity	NPC473423
0.7302	Intermediate Similarity	NPC470753
0.7302	Intermediate Similarity	NPC476972
0.7302	Intermediate Similarity	NPC473220
0.7302	Intermediate Similarity	NPC476971
0.7295	Intermediate Similarity	NPC472680
0.7295	Intermediate Similarity	NPC472679
0.7288	Intermediate Similarity	NPC153053
0.7287	Intermediate Similarity	NPC80599
0.7287	Intermediate Similarity	NPC209851
0.7281	Intermediate Similarity	NPC474111
0.7281	Intermediate Similarity	NPC100767
0.7281	Intermediate Similarity	NPC329705
0.7281	Intermediate Similarity	NPC477251
0.728	Intermediate Similarity	NPC473083
0.728	Intermediate Similarity	NPC295664
0.728	Intermediate Similarity	NPC265413
0.728	Intermediate Similarity	NPC471758
0.728	Intermediate Similarity	NPC474532
0.728	Intermediate Similarity	NPC10154
0.7273	Intermediate Similarity	NPC271475
0.7266	Intermediate Similarity	NPC475138
0.7266	Intermediate Similarity	NPC131684
0.7265	Intermediate Similarity	NPC218855
0.7265	Intermediate Similarity	NPC82899
0.7265	Intermediate Similarity	NPC270699
0.7265	Intermediate Similarity	NPC66208
0.7264	Intermediate Similarity	NPC84288
0.7258	Intermediate Similarity	NPC121168
0.7257	Intermediate Similarity	NPC19136
0.7255	Intermediate Similarity	NPC44830
0.725	Intermediate Similarity	NPC472862
0.7241	Intermediate Similarity	NPC273837
0.7238	Intermediate Similarity	NPC329064
0.7236	Intermediate Similarity	NPC476234
0.7236	Intermediate Similarity	NPC311175
0.7236	Intermediate Similarity	NPC37641
0.7222	Intermediate Similarity	NPC473082
0.7222	Intermediate Similarity	NPC45821
0.7213	Intermediate Similarity	NPC470814
0.7213	Intermediate Similarity	NPC42657
0.7209	Intermediate Similarity	NPC476977
0.7207	Intermediate Similarity	NPC7435
0.72	Intermediate Similarity	NPC473938
0.72	Intermediate Similarity	NPC472681
0.719	Intermediate Similarity	NPC61651
0.7185	Intermediate Similarity	NPC3218
0.7182	Intermediate Similarity	NPC251579
0.7182	Intermediate Similarity	NPC133135
0.7179	Intermediate Similarity	NPC1082
0.7179	Intermediate Similarity	NPC305912
0.7177	Intermediate Similarity	NPC475328
0.7177	Intermediate Similarity	NPC473749
0.7177	Intermediate Similarity	NPC162935
0.7177	Intermediate Similarity	NPC70973
0.7177	Intermediate Similarity	NPC249340
0.7176	Intermediate Similarity	NPC48929
0.7176	Intermediate Similarity	NPC126516
0.7176	Intermediate Similarity	NPC203486
0.7172	Intermediate Similarity	NPC3190
0.7172	Intermediate Similarity	NPC249018
0.717	Intermediate Similarity	NPC9822
0.7168	Intermediate Similarity	NPC329556
0.7155	Intermediate Similarity	NPC470252
0.7155	Intermediate Similarity	NPC469511
0.7154	Intermediate Similarity	NPC474222
0.7154	Intermediate Similarity	NPC476976
0.7154	Intermediate Similarity	NPC474223
0.7154	Intermediate Similarity	NPC475827
0.7154	Intermediate Similarity	NPC475804

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC21929 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	143
0.1-0.2	639
0.2-0.3	1211
0.3-0.4	2767
0.4-0.5	2543
0.5-0.6	1511
0.6-0.7	287
0.7-0.8	60
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
0.7807	Intermediate Similarity	NPD7094	Approved
0.7807	Intermediate Similarity	NPD6858	Approved
0.7698	Intermediate Similarity	NPD7961	Discontinued
0.7672	Intermediate Similarity	NPD5951	Approved
0.7642	Intermediate Similarity	NPD6049	Phase 2
0.7642	Intermediate Similarity	NPD6048	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD1088	Approved
0.7607	Intermediate Similarity	NPD4198	Discontinued
0.7589	Intermediate Similarity	NPD6685	Approved
0.757	Intermediate Similarity	NPD1989	Approved
0.7477	Intermediate Similarity	NPD688	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD4199	Phase 3
0.7429	Intermediate Similarity	NPD3673	Approved
0.7429	Intermediate Similarity	NPD1089	Approved
0.7429	Intermediate Similarity	NPD1086	Approved
0.7429	Intermediate Similarity	NPD3672	Approved
0.7429	Intermediate Similarity	NPD1090	Approved
0.7402	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7383	Intermediate Similarity	NPD5122	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD5736	Approved
0.7364	Intermediate Similarity	NPD2066	Phase 3
0.7364	Intermediate Similarity	NPD7798	Approved
0.7333	Intermediate Similarity	NPD5347	Phase 2
0.7333	Intermediate Similarity	NPD800	Approved
0.7333	Intermediate Similarity	NPD6065	Approved
0.7333	Intermediate Similarity	NPD5346	Phase 2
0.7328	Intermediate Similarity	NPD4141	Clinical (unspecified phase)
0.7321	Intermediate Similarity	NPD6647	Phase 2
0.7321	Intermediate Similarity	NPD5765	Approved
0.7317	Intermediate Similarity	NPD5618	Discontinued
0.7295	Intermediate Similarity	NPD7163	Clinical (unspecified phase)
0.7288	Intermediate Similarity	NPD6010	Discontinued
0.7232	Intermediate Similarity	NPD1932	Approved
0.7227	Intermediate Similarity	NPD2629	Approved
0.7213	Intermediate Similarity	NPD5981	Approved
0.7196	Intermediate Similarity	NPD1239	Approved
0.7182	Intermediate Similarity	NPD1564	Approved
0.7182	Intermediate Similarity	NPD1565	Approved
0.7182	Intermediate Similarity	NPD1566	Phase 3
0.7168	Intermediate Similarity	NPD1929	Approved
0.7168	Intermediate Similarity	NPD1931	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD1930	Approved
0.7156	Intermediate Similarity	NPD1693	Approved
0.7155	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.7155	Intermediate Similarity	NPD2329	Discontinued
0.7154	Intermediate Similarity	NPD6663	Approved
0.7143	Intermediate Similarity	NPD4793	Discontinued
0.7143	Intermediate Similarity	NPD1087	Approved
0.7132	Intermediate Similarity	NPD7008	Discontinued
0.7119	Intermediate Similarity	NPD6912	Phase 3
0.7115	Intermediate Similarity	NPD5734	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD5909	Discontinued
0.7059	Intermediate Similarity	NPD226	Approved
0.7049	Intermediate Similarity	NPD7610	Discontinued
0.7027	Intermediate Similarity	NPD3495	Discontinued
0.7025	Intermediate Similarity	NPD3317	Approved
0.7018	Intermediate Similarity	NPD5738	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD5700	Clinical (unspecified phase)
0.7016	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7009	Intermediate Similarity	NPD2182	Approved
0.6992	Remote Similarity	NPD7741	Discontinued
0.6992	Remote Similarity	NPD4479	Discontinued
0.6923	Remote Similarity	NPD3971	Phase 1
0.6909	Remote Similarity	NPD1563	Approved
0.6897	Remote Similarity	NPD5048	Discontinued
0.6889	Remote Similarity	NPD7305	Phase 1
0.688	Remote Similarity	NPD5125	Phase 3
0.688	Remote Similarity	NPD5126	Approved
0.6825	Remote Similarity	NPD7457	Clinical (unspecified phase)
0.6814	Remote Similarity	NPD5926	Approved
0.6807	Remote Similarity	NPD3646	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD1317	Discontinued
0.6803	Remote Similarity	NPD4766	Approved
0.68	Remote Similarity	NPD4209	Clinical (unspecified phase)
0.6767	Remote Similarity	NPD7715	Approved
0.6767	Remote Similarity	NPD7714	Approved
0.6765	Remote Similarity	NPD225	Approved
0.6765	Remote Similarity	NPD227	Approved
0.6762	Remote Similarity	NPD9491	Approved
0.6757	Remote Similarity	NPD1066	Discontinued
0.675	Remote Similarity	NPD3642	Approved
0.675	Remote Similarity	NPD3643	Approved
0.675	Remote Similarity	NPD3644	Approved
0.6746	Remote Similarity	NPD3019	Approved
0.6721	Remote Similarity	NPD4869	Clinical (unspecified phase)
0.672	Remote Similarity	NPD7009	Phase 2
0.6719	Remote Similarity	NPD3880	Clinical (unspecified phase)
0.6716	Remote Similarity	NPD4140	Approved
0.6696	Remote Similarity	NPD4814	Discontinued
0.6695	Remote Similarity	NPD5704	Approved
0.6695	Remote Similarity	NPD5705	Approved
0.6695	Remote Similarity	NPD5706	Approved
0.6667	Remote Similarity	NPD164	Approved
0.6667	Remote Similarity	NPD7236	Approved
0.6667	Remote Similarity	NPD7631	Approved
0.6643	Remote Similarity	NPD8166	Discontinued
0.6639	Remote Similarity	NPD7635	Approved
0.6637	Remote Similarity	NPD5206	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD1283	Approved
0.6614	Remote Similarity	NPD3095	Discontinued
0.6614	Remote Similarity	NPD2932	Approved
0.6612	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6607	Remote Similarity	NPD3718	Approved
0.6607	Remote Similarity	NPD3719	Approved
0.6593	Remote Similarity	NPD2979	Phase 3
0.6591	Remote Similarity	NPD7084	Phase 3
0.6587	Remote Similarity	NPD3091	Approved
0.6585	Remote Similarity	NPD2652	Approved
0.6585	Remote Similarity	NPD2650	Approved
0.6585	Remote Similarity	NPD3598	Phase 3
0.6577	Remote Similarity	NPD7609	Phase 3
0.6569	Remote Similarity	NPD7097	Phase 1
0.6562	Remote Similarity	NPD3023	Approved
0.6562	Remote Similarity	NPD3881	Discontinued
0.6562	Remote Similarity	NPD2956	Clinical (unspecified phase)
0.6562	Remote Similarity	NPD3026	Approved
0.6552	Remote Similarity	NPD7239	Suspended
0.6535	Remote Similarity	NPD3025	Approved
0.6535	Remote Similarity	NPD3024	Approved
0.6529	Remote Similarity	NPD1756	Approved
0.6529	Remote Similarity	NPD4234	Approved
0.6529	Remote Similarity	NPD2067	Discontinued
0.6529	Remote Similarity	NPD4233	Approved
0.6529	Remote Similarity	NPD1752	Approved
0.6525	Remote Similarity	NPD7003	Approved
0.6519	Remote Similarity	NPD8032	Phase 2
0.6518	Remote Similarity	NPD6399	Phase 3
0.6515	Remote Similarity	NPD6085	Phase 2
0.6515	Remote Similarity	NPD5740	Clinical (unspecified phase)
0.6515	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6512	Remote Similarity	NPD7436	Approved
0.6512	Remote Similarity	NPD4807	Approved
0.6512	Remote Similarity	NPD7437	Approved
0.6512	Remote Similarity	NPD4806	Approved
0.6504	Remote Similarity	NPD2607	Approved
0.6493	Remote Similarity	NPD7095	Approved
0.6484	Remote Similarity	NPD5306	Approved
0.6484	Remote Similarity	NPD5305	Approved
0.6475	Remote Similarity	NPD5927	Discontinued
0.6471	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6462	Remote Similarity	NPD6637	Approved
0.6457	Remote Similarity	NPD2617	Discontinued
0.6455	Remote Similarity	NPD531	Approved
0.6455	Remote Similarity	NPD1101	Approved
0.6444	Remote Similarity	NPD7985	Registered
0.6439	Remote Similarity	NPD3094	Phase 2
0.6435	Remote Similarity	NPD7902	Approved
0.6429	Remote Similarity	NPD4576	Approved
0.6429	Remote Similarity	NPD7325	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD2346	Discontinued
0.6429	Remote Similarity	NPD4574	Approved
0.6429	Remote Similarity	NPD7702	Clinical (unspecified phase)
0.6406	Remote Similarity	NPD5585	Approved
0.6406	Remote Similarity	NPD5691	Approved
0.6385	Remote Similarity	NPD1281	Approved
0.6385	Remote Similarity	NPD6287	Discontinued
0.6385	Remote Similarity	NPD3092	Approved
0.6381	Remote Similarity	NPD9490	Approved
0.6379	Remote Similarity	NPD253	Approved
0.6364	Remote Similarity	NPD2342	Discontinued
0.6357	Remote Similarity	NPD7725	Approved
0.6357	Remote Similarity	NPD4626	Approved
0.635	Remote Similarity	NPD4060	Phase 1
0.6336	Remote Similarity	NPD7814	Approved
0.6328	Remote Similarity	NPD3798	Phase 3
0.6325	Remote Similarity	NPD3097	Clinical (unspecified phase)
0.6308	Remote Similarity	NPD4135	Approved
0.6308	Remote Similarity	NPD4106	Approved
0.6308	Remote Similarity	NPD4136	Approved
0.6308	Remote Similarity	NPD4879	Approved
0.6301	Remote Similarity	NPD6273	Approved
0.6299	Remote Similarity	NPD3797	Approved
0.6296	Remote Similarity	NPD7055	Discontinued
0.6294	Remote Similarity	NPD7253	Phase 3
0.6293	Remote Similarity	NPD1875	Phase 1
0.6288	Remote Similarity	NPD5327	Phase 3
0.6284	Remote Similarity	NPD7458	Discontinued
0.6279	Remote Similarity	NPD6994	Approved
0.6279	Remote Similarity	NPD6993	Approved
0.6271	Remote Similarity	NPD3135	Clinical (unspecified phase)
0.6261	Remote Similarity	NPD3772	Phase 3
0.626	Remote Similarity	NPD5278	Discontinued
0.626	Remote Similarity	NPD1611	Approved
0.626	Remote Similarity	NPD5239	Approved
0.626	Remote Similarity	NPD5240	Approved
0.626	Remote Similarity	NPD4215	Approved
0.626	Remote Similarity	NPD3132	Approved
0.626	Remote Similarity	NPD4218	Approved
0.626	Remote Similarity	NPD5235	Approved
0.626	Remote Similarity	NPD3131	Approved
0.626	Remote Similarity	NPD4216	Approved
0.626	Remote Similarity	NPD3603	Phase 3
0.626	Remote Similarity	NPD5237	Approved
0.626	Remote Similarity	NPD2610	Approved
0.626	Remote Similarity	NPD2609	Approved
0.626	Remote Similarity	NPD2608	Approved
0.626	Remote Similarity	NPD5236	Approved
0.626	Remote Similarity	NPD2611	Approved
0.626	Remote Similarity	NPD2612	Approved
0.626	Remote Similarity	NPD4217	Approved

Structure

NPC21929 OpenBabel07101718282D 28 30 0 0 1 0 0 0 0 0999 V2000 3.4641 -3.0000 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 -0.3660 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 1.7321 -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 0.8660 -1.5000 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 -2.8660 4.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 4.0981 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 2.5981 -0.5000 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 3.4641 -2.0000 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 1.7321 -0.0000 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 0.0000 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3660 5.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 3.2321 0.0000 C 0 0 0 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 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3660 5.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 6.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 3.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 23 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 19 24 1 0 0 0 0 20 23 1 6 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 3 1 6 0 0 0 24 4 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	46230266
ChEMBL	CHEMBL599789
ZINC

Physicochemical Properties

Molecular Weight:	386.25
ALogP:	0.8915
MLogP:	3.66
XLogP:	8.363
# Rotatable Bonds:	12
Polar Surface Area:	63.6
# H-Bond Aceptor:	4
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	28

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