NPASS Natural Product

Natural Product: NPC142163

Natural Product ID:	NPC142163
Common Name:	11Alpha-O-Acetylisopimara-8(14),15-Dien-3Beta-Ol
IUPAC Name:	[(2R,4R,4aS,4bS,7S,8aR)-2-ethenyl-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] acetate
Synonyms:
Molecular Formula:	C22H34O3
Standard InCHIKey:	ICHSDMXTKNHIEL-KFTRMCEUSA-N
Standard InCHI:	InChI=1S/C22H34O3/c1-7-21(5)12-15-8-9-17-20(3,4)18(24)10-11-22(17,6)19(15)16(13-21)25-14(2)23/h7,12,16-19,24H,1,8-11,13H2,2-6H3/t16-,17+,18+,19-,21-,22+/m1/s1
Canonical SMILES:	C=C[C@@]1(C)C[C@@H](OC(=O)C)[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CC[C@@H](C1(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
NPO32847	fokienia hodginsii	Species	Cupressaceae	Eukaryota	Twigs and Leaves			PMID[23691952]

Biological Activity

Activity Type	# Activity
IC50	5

Activity Type	# Activity
Cell Line	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT81	Cell Line	A549	Homo sapiens	IC50	>	40000	nM	Open TG-GATES in vivo data: Hematology
NPT116	Cell Line	HL-60	Homo sapiens	IC50	>	40000	nM	19966789
NPT660	Cell Line	SW480	Homo sapiens	IC50	>	40000	nM	21145750
NPT83	Cell Line	MCF7	Homo sapiens	IC50	>	40000	nM	18847246
NPT659	Cell Line	SMMC-7721	Homo sapiens	IC50	>	40000	nM	19959361

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 NPC142163 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	108
0.1-0.2	593
0.2-0.3	2816
0.3-0.4	7480
0.4-0.5	9128
0.5-0.6	4313
0.6-0.7	4083
0.7-0.8	2033
0.8-0.85	298
0.85-0.9	29
0.9-0.95	7
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9733	High Similarity	NPC100906
0.9241	High Similarity	NPC52108
0.9241	High Similarity	NPC474789
0.9211	High Similarity	NPC283619
0.9136	High Similarity	NPC474970
0.9067	High Similarity	NPC477138
0.9067	High Similarity	NPC243342
0.9012	High Similarity	NPC191965
0.8947	High Similarity	NPC291503
0.8902	High Similarity	NPC84121
0.8902	High Similarity	NPC325594
0.8902	High Similarity	NPC137306
0.8816	High Similarity	NPC91858
0.88	High Similarity	NPC242001
0.878	High Similarity	NPC476602
0.875	High Similarity	NPC159148
0.8718	High Similarity	NPC471798
0.8701	High Similarity	NPC66566
0.8701	High Similarity	NPC477923
0.8684	High Similarity	NPC471799
0.8684	High Similarity	NPC182717
0.8675	High Similarity	NPC73038
0.8667	High Similarity	NPC145498
0.8625	High Similarity	NPC269791
0.8625	High Similarity	NPC281880
0.8588	High Similarity	NPC16265
0.8588	High Similarity	NPC470588
0.8588	High Similarity	NPC473647
0.8571	High Similarity	NPC471797
0.8537	High Similarity	NPC132386
0.8519	High Similarity	NPC195334
0.8519	High Similarity	NPC473420
0.8519	High Similarity	NPC170303
0.8519	High Similarity	NPC290495
0.8519	High Similarity	NPC108476
0.85	High Similarity	NPC44083
0.85	High Similarity	NPC153987
0.8488	Intermediate Similarity	NPC280149
0.8488	Intermediate Similarity	NPC221111
0.8488	Intermediate Similarity	NPC474728
0.8481	Intermediate Similarity	NPC91594
0.8481	Intermediate Similarity	NPC477924
0.8471	Intermediate Similarity	NPC473242
0.8471	Intermediate Similarity	NPC181225
0.8471	Intermediate Similarity	NPC40552
0.8471	Intermediate Similarity	NPC17733
0.8471	Intermediate Similarity	NPC246708
0.8471	Intermediate Similarity	NPC470629
0.8471	Intermediate Similarity	NPC290690
0.8471	Intermediate Similarity	NPC474512
0.8452	Intermediate Similarity	NPC82979
0.8434	Intermediate Similarity	NPC102048
0.8415	Intermediate Similarity	NPC256112
0.8415	Intermediate Similarity	NPC73882
0.8415	Intermediate Similarity	NPC286786
0.8395	Intermediate Similarity	NPC287749
0.8395	Intermediate Similarity	NPC96362
0.8391	Intermediate Similarity	NPC285184
0.8391	Intermediate Similarity	NPC77099
0.8391	Intermediate Similarity	NPC301244
0.8391	Intermediate Similarity	NPC470590
0.8391	Intermediate Similarity	NPC60755
0.8391	Intermediate Similarity	NPC477574
0.8375	Intermediate Similarity	NPC99168
0.8375	Intermediate Similarity	NPC476314
0.8375	Intermediate Similarity	NPC22955
0.8375	Intermediate Similarity	NPC474989
0.8375	Intermediate Similarity	NPC470396
0.8372	Intermediate Similarity	NPC274330
0.8372	Intermediate Similarity	NPC198664
0.8372	Intermediate Similarity	NPC143232
0.8354	Intermediate Similarity	NPC274079
0.8354	Intermediate Similarity	NPC106432
0.8354	Intermediate Similarity	NPC477925
0.8354	Intermediate Similarity	NPC265588
0.8353	Intermediate Similarity	NPC142361
0.8353	Intermediate Similarity	NPC51700
0.8353	Intermediate Similarity	NPC242468
0.8353	Intermediate Similarity	NPC102683
0.8353	Intermediate Similarity	NPC142415
0.8353	Intermediate Similarity	NPC307426
0.8353	Intermediate Similarity	NPC18064
0.8353	Intermediate Similarity	NPC171203
0.8353	Intermediate Similarity	NPC98442
0.8353	Intermediate Similarity	NPC245004
0.8353	Intermediate Similarity	NPC68160
0.8353	Intermediate Similarity	NPC293564
0.8353	Intermediate Similarity	NPC130577
0.8353	Intermediate Similarity	NPC88716
0.8353	Intermediate Similarity	NPC474684
0.8353	Intermediate Similarity	NPC71507
0.8353	Intermediate Similarity	NPC477926
0.8333	Intermediate Similarity	NPC164424
0.8333	Intermediate Similarity	NPC100334
0.8333	Intermediate Similarity	NPC71152
0.8333	Intermediate Similarity	NPC109528
0.8333	Intermediate Similarity	NPC35933
0.8313	Intermediate Similarity	NPC79945
0.8313	Intermediate Similarity	NPC473592
0.8313	Intermediate Similarity	NPC476927
0.8313	Intermediate Similarity	NPC470948
0.8312	Intermediate Similarity	NPC167706
0.8312	Intermediate Similarity	NPC110799
0.8295	Intermediate Similarity	NPC470224
0.8295	Intermediate Similarity	NPC86368
0.8295	Intermediate Similarity	NPC63118
0.8295	Intermediate Similarity	NPC49776
0.8295	Intermediate Similarity	NPC474436
0.8293	Intermediate Similarity	NPC116202
0.8293	Intermediate Similarity	NPC476646
0.8276	Intermediate Similarity	NPC111110
0.8276	Intermediate Similarity	NPC310479
0.8276	Intermediate Similarity	NPC78973
0.8276	Intermediate Similarity	NPC471896
0.8276	Intermediate Similarity	NPC113989
0.8276	Intermediate Similarity	NPC120840
0.8276	Intermediate Similarity	NPC470589
0.8276	Intermediate Similarity	NPC126369
0.8272	Intermediate Similarity	NPC242767
0.8272	Intermediate Similarity	NPC291379
0.8272	Intermediate Similarity	NPC53744
0.8256	Intermediate Similarity	NPC182797
0.8256	Intermediate Similarity	NPC52169
0.825	Intermediate Similarity	NPC101475
0.825	Intermediate Similarity	NPC157996
0.825	Intermediate Similarity	NPC34177
0.825	Intermediate Similarity	NPC40394
0.825	Intermediate Similarity	NPC90979
0.825	Intermediate Similarity	NPC472805
0.8235	Intermediate Similarity	NPC72638
0.8235	Intermediate Similarity	NPC155011
0.8235	Intermediate Similarity	NPC329692
0.8235	Intermediate Similarity	NPC131813
0.8235	Intermediate Similarity	NPC6979
0.8222	Intermediate Similarity	NPC54248
0.8222	Intermediate Similarity	NPC253115
0.8222	Intermediate Similarity	NPC276103
0.8222	Intermediate Similarity	NPC327179
0.8222	Intermediate Similarity	NPC304899
0.8214	Intermediate Similarity	NPC319238
0.8214	Intermediate Similarity	NPC306951
0.8205	Intermediate Similarity	NPC68443
0.8202	Intermediate Similarity	NPC215700
0.8202	Intermediate Similarity	NPC80365
0.8202	Intermediate Similarity	NPC474922
0.8193	Intermediate Similarity	NPC472504
0.8193	Intermediate Similarity	NPC48362
0.8193	Intermediate Similarity	NPC2524
0.8182	Intermediate Similarity	NPC26888
0.8182	Intermediate Similarity	NPC92801
0.8182	Intermediate Similarity	NPC187722
0.8182	Intermediate Similarity	NPC234335
0.8182	Intermediate Similarity	NPC177641
0.8171	Intermediate Similarity	NPC206735
0.8161	Intermediate Similarity	NPC121798
0.8161	Intermediate Similarity	NPC263393
0.8161	Intermediate Similarity	NPC30522
0.8161	Intermediate Similarity	NPC472240
0.8161	Intermediate Similarity	NPC130520
0.8161	Intermediate Similarity	NPC290972
0.8161	Intermediate Similarity	NPC20946
0.8161	Intermediate Similarity	NPC474704
0.8161	Intermediate Similarity	NPC161751
0.8161	Intermediate Similarity	NPC25906
0.8161	Intermediate Similarity	NPC61543
0.8161	Intermediate Similarity	NPC293048
0.8161	Intermediate Similarity	NPC225585
0.8161	Intermediate Similarity	NPC474686
0.8161	Intermediate Similarity	NPC95246
0.8161	Intermediate Similarity	NPC270768
0.8161	Intermediate Similarity	NPC474972
0.8161	Intermediate Similarity	NPC262858
0.8161	Intermediate Similarity	NPC59263
0.8161	Intermediate Similarity	NPC128496
0.8161	Intermediate Similarity	NPC146554
0.8161	Intermediate Similarity	NPC246028
0.8161	Intermediate Similarity	NPC234346
0.8161	Intermediate Similarity	NPC127689
0.8161	Intermediate Similarity	NPC64872
0.8161	Intermediate Similarity	NPC475921
0.8158	Intermediate Similarity	NPC208999
0.8148	Intermediate Similarity	NPC167891
0.8148	Intermediate Similarity	NPC300499
0.8148	Intermediate Similarity	NPC83351
0.8148	Intermediate Similarity	NPC230295
0.8148	Intermediate Similarity	NPC98386
0.8148	Intermediate Similarity	NPC158662
0.8148	Intermediate Similarity	NPC196753
0.8148	Intermediate Similarity	NPC253807
0.8148	Intermediate Similarity	NPC275910
0.814	Intermediate Similarity	NPC166857
0.814	Intermediate Similarity	NPC187376
0.814	Intermediate Similarity	NPC233836
0.814	Intermediate Similarity	NPC131329
0.814	Intermediate Similarity	NPC159046
0.8132	Intermediate Similarity	NPC475032
0.8132	Intermediate Similarity	NPC475033
0.8125	Intermediate Similarity	NPC120098
0.8125	Intermediate Similarity	NPC122418
0.8125	Intermediate Similarity	NPC240604

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC142163 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	121
0.1-0.2	994
0.2-0.3	3608
0.3-0.4	2789
0.4-0.5	1068
0.5-0.6	259
0.6-0.7	224
0.7-0.8	94
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8272	Intermediate Similarity	NPD7645	Phase 2
0.8	Intermediate Similarity	NPD6942	Approved
0.8	Intermediate Similarity	NPD7339	Approved
0.8	Intermediate Similarity	NPD7748	Approved
0.7978	Intermediate Similarity	NPD7515	Phase 2
0.7901	Intermediate Similarity	NPD3701	Clinical (unspecified phase)
0.7889	Intermediate Similarity	NPD6399	Phase 3
0.7791	Intermediate Similarity	NPD4786	Approved
0.7778	Intermediate Similarity	NPD6411	Approved
0.7765	Intermediate Similarity	NPD3667	Approved
0.7742	Intermediate Similarity	NPD7902	Approved
0.7738	Intermediate Similarity	NPD7525	Registered
0.766	Intermediate Similarity	NPD7638	Approved
0.7614	Intermediate Similarity	NPD3618	Phase 1
0.7582	Intermediate Similarity	NPD6079	Approved
0.7579	Intermediate Similarity	NPD7639	Approved
0.7579	Intermediate Similarity	NPD7640	Approved
0.7561	Intermediate Similarity	NPD8264	Approved
0.7556	Intermediate Similarity	NPD5764	Clinical (unspecified phase)
0.7556	Intermediate Similarity	NPD6101	Approved
0.7556	Intermediate Similarity	NPD5328	Approved
0.75	Intermediate Similarity	NPD7520	Clinical (unspecified phase)
0.7474	Intermediate Similarity	NPD4225	Approved
0.7439	Intermediate Similarity	NPD6924	Approved
0.7439	Intermediate Similarity	NPD6926	Approved
0.7419	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD7900	Approved
0.7416	Intermediate Similarity	NPD7334	Approved
0.7416	Intermediate Similarity	NPD7521	Approved
0.7416	Intermediate Similarity	NPD6684	Approved
0.7416	Intermediate Similarity	NPD5330	Approved
0.7416	Intermediate Similarity	NPD6409	Approved
0.7416	Intermediate Similarity	NPD7146	Approved
0.7407	Intermediate Similarity	NPD7150	Approved
0.7407	Intermediate Similarity	NPD7151	Approved
0.7407	Intermediate Similarity	NPD7152	Approved
0.74	Intermediate Similarity	NPD6881	Approved
0.74	Intermediate Similarity	NPD6899	Approved
0.7374	Intermediate Similarity	NPD7128	Approved
0.7374	Intermediate Similarity	NPD5739	Approved
0.7374	Intermediate Similarity	NPD6675	Approved
0.7374	Intermediate Similarity	NPD6402	Approved
0.7333	Intermediate Similarity	NPD3573	Approved
0.73	Intermediate Similarity	NPD5697	Approved
0.7284	Intermediate Similarity	NPD7144	Approved
0.7284	Intermediate Similarity	NPD7143	Approved
0.7262	Intermediate Similarity	NPD6933	Approved
0.7255	Intermediate Similarity	NPD7102	Approved
0.7255	Intermediate Similarity	NPD7290	Approved
0.7255	Intermediate Similarity	NPD6883	Approved
0.7253	Intermediate Similarity	NPD7513	Clinical (unspecified phase)
0.7253	Intermediate Similarity	NPD6903	Approved
0.7229	Intermediate Similarity	NPD4784	Approved
0.7229	Intermediate Similarity	NPD4785	Approved
0.7228	Intermediate Similarity	NPD6011	Approved
0.7228	Intermediate Similarity	NPD7320	Approved
0.7204	Intermediate Similarity	NPD7637	Suspended
0.7204	Intermediate Similarity	NPD8035	Phase 2
0.7204	Intermediate Similarity	NPD8034	Phase 2
0.7191	Intermediate Similarity	NPD3133	Approved
0.7191	Intermediate Similarity	NPD3666	Approved
0.7191	Intermediate Similarity	NPD3665	Phase 1
0.7188	Intermediate Similarity	NPD6083	Phase 2
0.7188	Intermediate Similarity	NPD6084	Phase 2
0.7184	Intermediate Similarity	NPD6649	Approved
0.7184	Intermediate Similarity	NPD6617	Approved
0.7184	Intermediate Similarity	NPD6847	Approved
0.7184	Intermediate Similarity	NPD8130	Phase 1
0.7184	Intermediate Similarity	NPD6650	Approved
0.7184	Intermediate Similarity	NPD6869	Approved
0.7174	Intermediate Similarity	NPD6051	Approved
0.716	Intermediate Similarity	NPD6922	Approved
0.716	Intermediate Similarity	NPD6923	Approved
0.7157	Intermediate Similarity	NPD6012	Approved
0.7157	Intermediate Similarity	NPD6013	Approved
0.7157	Intermediate Similarity	NPD6373	Approved
0.7157	Intermediate Similarity	NPD6372	Approved
0.7157	Intermediate Similarity	NPD6014	Approved
0.7129	Intermediate Similarity	NPD5701	Approved
0.7128	Intermediate Similarity	NPD5779	Approved
0.7128	Intermediate Similarity	NPD4202	Approved
0.7128	Intermediate Similarity	NPD5778	Approved
0.7126	Intermediate Similarity	NPD7509	Discontinued
0.7115	Intermediate Similarity	NPD8297	Approved
0.7115	Intermediate Similarity	NPD6882	Approved
0.7083	Intermediate Similarity	NPD5221	Approved
0.7083	Intermediate Similarity	NPD5222	Approved
0.7083	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.7079	Intermediate Similarity	NPD6695	Phase 3
0.7065	Intermediate Similarity	NPD5737	Approved
0.7065	Intermediate Similarity	NPD6672	Approved
0.7019	Intermediate Similarity	NPD6401	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD6929	Approved
0.7011	Intermediate Similarity	NPD4195	Approved
0.701	Intermediate Similarity	NPD5173	Approved
0.7009	Intermediate Similarity	NPD7115	Discovery
0.7	Intermediate Similarity	NPD3668	Phase 3
0.7	Intermediate Similarity	NPD7338	Clinical (unspecified phase)
0.6988	Remote Similarity	NPD4243	Approved
0.6977	Remote Similarity	NPD6932	Approved
0.6957	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD5290	Discontinued
0.6932	Remote Similarity	NPD4695	Discontinued
0.6932	Remote Similarity	NPD6930	Phase 2
0.6932	Remote Similarity	NPD6931	Approved
0.6932	Remote Similarity	NPD4748	Discontinued
0.6916	Remote Similarity	NPD6868	Approved
0.6907	Remote Similarity	NPD4697	Phase 3
0.69	Remote Similarity	NPD7632	Discontinued
0.6897	Remote Similarity	NPD7145	Approved
0.6897	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.6869	Remote Similarity	NPD5285	Approved
0.6869	Remote Similarity	NPD5286	Approved
0.6869	Remote Similarity	NPD4696	Approved
0.6848	Remote Similarity	NPD6098	Approved
0.6848	Remote Similarity	NPD5279	Phase 3
0.6837	Remote Similarity	NPD4755	Approved
0.6813	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD5695	Phase 3
0.6804	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.68	Remote Similarity	NPD5223	Approved
0.68	Remote Similarity	NPD5344	Discontinued
0.6789	Remote Similarity	NPD6335	Approved
0.6782	Remote Similarity	NPD5776	Phase 2
0.6782	Remote Similarity	NPD6925	Approved
0.6778	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD7750	Discontinued
0.6774	Remote Similarity	NPD7524	Approved
0.6768	Remote Similarity	NPD5696	Approved
0.6742	Remote Similarity	NPD7332	Phase 2
0.6742	Remote Similarity	NPD7514	Phase 3
0.6742	Remote Similarity	NPD8259	Clinical (unspecified phase)
0.6739	Remote Similarity	NPD1694	Approved
0.6733	Remote Similarity	NPD4633	Approved
0.6733	Remote Similarity	NPD5224	Approved
0.6733	Remote Similarity	NPD5211	Phase 2
0.6733	Remote Similarity	NPD5225	Approved
0.6733	Remote Similarity	NPD5226	Approved
0.6729	Remote Similarity	NPD4632	Approved
0.6727	Remote Similarity	NPD7100	Approved
0.6727	Remote Similarity	NPD7101	Approved
0.67	Remote Similarity	NPD4700	Approved
0.6699	Remote Similarity	NPD6008	Approved
0.6697	Remote Similarity	NPD6317	Approved
0.6667	Remote Similarity	NPD6902	Approved
0.6667	Remote Similarity	NPD6117	Approved
0.6667	Remote Similarity	NPD5175	Approved
0.6667	Remote Similarity	NPD5174	Approved
0.6667	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.6636	Remote Similarity	NPD6314	Approved
0.6636	Remote Similarity	NPD6313	Approved
0.6632	Remote Similarity	NPD6080	Approved
0.6632	Remote Similarity	NPD4753	Phase 2
0.6632	Remote Similarity	NPD6904	Approved
0.6632	Remote Similarity	NPD6673	Approved
0.6629	Remote Similarity	NPD6683	Phase 2
0.6628	Remote Similarity	NPD6113	Clinical (unspecified phase)
0.6606	Remote Similarity	NPD6274	Approved
0.6602	Remote Similarity	NPD5141	Approved
0.6593	Remote Similarity	NPD4223	Phase 3
0.6593	Remote Similarity	NPD4221	Approved
0.6591	Remote Similarity	NPD6116	Phase 1
0.6571	Remote Similarity	NPD6686	Approved
0.6559	Remote Similarity	NPD6893	Approved
0.6559	Remote Similarity	NPD5329	Approved
0.6556	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD4190	Phase 3
0.6552	Remote Similarity	NPD8039	Approved
0.6552	Remote Similarity	NPD5275	Approved
0.6545	Remote Similarity	NPD6009	Approved
0.6543	Remote Similarity	NPD5325	Clinical (unspecified phase)
0.6535	Remote Similarity	NPD6648	Approved
0.6531	Remote Similarity	NPD6001	Approved
0.6526	Remote Similarity	NPD5208	Approved
0.6522	Remote Similarity	NPD5362	Discontinued
0.6522	Remote Similarity	NPD7154	Phase 3
0.6518	Remote Similarity	NPD6319	Approved
0.6517	Remote Similarity	NPD6114	Approved
0.6517	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6517	Remote Similarity	NPD6697	Approved
0.6517	Remote Similarity	NPD6118	Approved
0.6517	Remote Similarity	NPD6115	Approved
0.6509	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6505	Remote Similarity	NPD4754	Approved
0.6495	Remote Similarity	NPD5284	Approved
0.6495	Remote Similarity	NPD7087	Discontinued
0.6495	Remote Similarity	NPD5281	Approved
0.6491	Remote Similarity	NPD7604	Phase 2
0.6489	Remote Similarity	NPD4519	Discontinued
0.6489	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6489	Remote Similarity	NPD4623	Approved
0.6486	Remote Similarity	NPD7327	Approved
0.6486	Remote Similarity	NPD7328	Approved
0.6484	Remote Similarity	NPD6898	Phase 1
0.6484	Remote Similarity	NPD5369	Approved
0.6476	Remote Similarity	NPD6412	Phase 2
0.6465	Remote Similarity	NPD4629	Approved
0.6465	Remote Similarity	NPD5210	Approved
0.646	Remote Similarity	NPD6909	Approved

Structure

NPC142163 OpenBabel07101718232D 25 27 0 0 1 0 0 0 0 0999 V2000 -3.8228 -2.7247 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 1.3660 2.3660 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 -3.3914 -0.8912 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 -2.8569 -2.4659 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 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 -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 -0.0000 -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 -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 1.7321 1.0000 0.0000 C 0 0 1 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 0.8660 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 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 -0.8660 -3.5000 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 -0.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 14 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 12 21 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 14 23 2 0 0 0 0 14 25 1 0 0 0 0 15 19 1 0 0 0 0 16 19 1 0 0 0 0 16 25 1 6 0 0 0 17 20 1 0 0 0 0 17 22 1 1 0 0 0 18 20 1 0 0 0 0 18 24 1 1 0 0 0 19 22 1 1 0 0 0 21 5 1 1 0 0 0 22 6 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	71725774
ChEMBL	CHEMBL2385629
ZINC

Physicochemical Properties

Molecular Weight:	346.25
ALogP:	1.689
MLogP:	3.55
XLogP:	5.366
# Rotatable Bonds:	9
Polar Surface Area:	46.53
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	25

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