NPASS Natural Product

Natural Product: NPC310370

Natural Product ID:	NPC310370
Common Name:	Glycycoumarin
IUPAC Name:	3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chromen-2-one
Synonyms:	Glycycoumarin
Molecular Formula:	C21H20O6
Standard InCHIKey:	NZYSZZDSYIBYLC-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3
Canonical SMILES:	COc1c(CC=C(C)C)c(O)cc2c1cc(c(=O)o2)c1ccc(cc1O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota		PMID[22074222]
NPO7786	Lentinus tigrinus	Species	Lentinaceae	Eukaryota		UNPD*
NPO19266	Clausena excavata	Species	Rutaceae	Eukaryota		HerDing*
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota		TCM_Taiwan*
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota		HerDing*
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	Root	PMID[22074222]
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota		UNPD*
NPO10026	Mitracarpus scaber	Species	Rubiaceae	Eukaryota		UNPD*
NPO15835	Glycyrrhiza	Species	Fabaceae	Eukaryota		TCMSP*
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota		TM-MC*
NPO1698	Glycyrrhiza inflata	Species	Fabaceae	Eukaryota		TM-MC*
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota		TM-MC*
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota		TCMID*
NPO19266	Clausena excavata	Species	Rutaceae	Eukaryota		TCMID*

Biological Activity

Activity Type	# Activity
IC50	1
Others	1

Activity Type	# Activity
Individual Protein	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	IC50	=	183900	nM	20724155
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	FC	=	1.72		26841168

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 NPC310370 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	223
0.1-0.2	1081
0.2-0.3	2111
0.3-0.4	5105
0.4-0.5	8068
0.5-0.6	2636
0.6-0.7	4034
0.7-0.8	5488
0.8-0.85	1532
0.85-0.9	584
0.9-0.95	23
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC183642
0.9708	High Similarity	NPC295696
0.9708	High Similarity	NPC71739
0.9559	High Similarity	NPC170812
0.9485	High Similarity	NPC71903
0.9407	High Similarity	NPC223616
0.9398	High Similarity	NPC307289
0.9366	High Similarity	NPC103116
0.9248	High Similarity	NPC32463
0.913	High Similarity	NPC221046
0.9085	High Similarity	NPC469953
0.9078	High Similarity	NPC36181
0.9051	High Similarity	NPC61499
0.9044	High Similarity	NPC55147
0.9044	High Similarity	NPC54503
0.9023	High Similarity	NPC243688
0.9021	High Similarity	NPC470322
0.9021	High Similarity	NPC154217
0.9014	High Similarity	NPC112791
0.9014	High Similarity	NPC94794
0.9014	High Similarity	NPC470296
0.9014	High Similarity	NPC87609
0.9014	High Similarity	NPC188632
0.9014	High Similarity	NPC196459
0.9007	High Similarity	NPC229916
0.9007	High Similarity	NPC110969
0.9	High Similarity	NPC155552
0.8993	High Similarity	NPC148738
0.8993	High Similarity	NPC327612
0.8993	High Similarity	NPC332594
0.8993	High Similarity	NPC319870
0.8993	High Similarity	NPC73078
0.8978	High Similarity	NPC131950
0.8971	High Similarity	NPC175159
0.8958	High Similarity	NPC142863
0.8958	High Similarity	NPC180477
0.8951	High Similarity	NPC469935
0.8951	High Similarity	NPC1886
0.8951	High Similarity	NPC234629
0.8951	High Similarity	NPC178627
0.8951	High Similarity	NPC196137
0.8951	High Similarity	NPC311741
0.8944	High Similarity	NPC226636
0.8944	High Similarity	NPC11561
0.8936	High Similarity	NPC261227
0.8936	High Similarity	NPC159275
0.8936	High Similarity	NPC172986
0.8936	High Similarity	NPC270883
0.8936	High Similarity	NPC241100
0.8905	High Similarity	NPC31849
0.8904	High Similarity	NPC474735
0.8897	High Similarity	NPC472517
0.8889	High Similarity	NPC181388
0.8889	High Similarity	NPC474289
0.8889	High Similarity	NPC57470
0.8873	High Similarity	NPC205006
0.8873	High Similarity	NPC156590
0.8873	High Similarity	NPC103362
0.8873	High Similarity	NPC118840
0.8873	High Similarity	NPC147688
0.8873	High Similarity	NPC282300
0.8873	High Similarity	NPC64908
0.8872	High Similarity	NPC244495
0.8872	High Similarity	NPC168259
0.8872	High Similarity	NPC93219
0.8865	High Similarity	NPC220062
0.8865	High Similarity	NPC18260
0.8865	High Similarity	NPC78913
0.8865	High Similarity	NPC55018
0.8865	High Similarity	NPC301217
0.8865	High Similarity	NPC53181
0.8865	High Similarity	NPC216978
0.8865	High Similarity	NPC96565
0.8865	High Similarity	NPC217186
0.8865	High Similarity	NPC303633
0.8849	High Similarity	NPC246177
0.8849	High Similarity	NPC317045
0.8844	High Similarity	NPC290671
0.8841	High Similarity	NPC27643
0.8836	High Similarity	NPC317492
0.8836	High Similarity	NPC19238
0.8832	High Similarity	NPC194277
0.8828	High Similarity	NPC249942
0.8828	High Similarity	NPC297886
0.8828	High Similarity	NPC140120
0.8824	High Similarity	NPC469929
0.8819	High Similarity	NPC287275
0.8819	High Similarity	NPC216538
0.8819	High Similarity	NPC273538
0.8815	High Similarity	NPC185066
0.8811	High Similarity	NPC471824
0.8811	High Similarity	NPC200694
0.8803	High Similarity	NPC69769
0.8803	High Similarity	NPC235239
0.8803	High Similarity	NPC475680
0.8803	High Similarity	NPC305355
0.8803	High Similarity	NPC150522
0.8797	High Similarity	NPC89630
0.8797	High Similarity	NPC201667
0.8797	High Similarity	NPC73413
0.8794	High Similarity	NPC201395
0.8786	High Similarity	NPC309452
0.8786	High Similarity	NPC471069
0.8786	High Similarity	NPC471068
0.8777	High Similarity	NPC66705
0.8776	High Similarity	NPC151973
0.8768	High Similarity	NPC163557
0.8767	High Similarity	NPC469933
0.8767	High Similarity	NPC208303
0.8767	High Similarity	NPC39195
0.8767	High Similarity	NPC168085
0.8767	High Similarity	NPC161864
0.8767	High Similarity	NPC266572
0.8759	High Similarity	NPC178343
0.8759	High Similarity	NPC153758
0.8759	High Similarity	NPC124729
0.8759	High Similarity	NPC306488
0.8759	High Similarity	NPC5820
0.875	High Similarity	NPC75049
0.875	High Similarity	NPC143896
0.875	High Similarity	NPC68104
0.875	High Similarity	NPC39329
0.875	High Similarity	NPC158874
0.875	High Similarity	NPC257097
0.875	High Similarity	NPC106985
0.875	High Similarity	NPC212932
0.875	High Similarity	NPC91560
0.875	High Similarity	NPC150408
0.875	High Similarity	NPC190637
0.875	High Similarity	NPC18585
0.875	High Similarity	NPC175504
0.875	High Similarity	NPC38219
0.875	High Similarity	NPC149026
0.875	High Similarity	NPC310130
0.875	High Similarity	NPC293053
0.875	High Similarity	NPC221432
0.875	High Similarity	NPC24821
0.875	High Similarity	NPC9117
0.875	High Similarity	NPC164980
0.875	High Similarity	NPC166138
0.875	High Similarity	NPC169591
0.875	High Similarity	NPC470216
0.8741	High Similarity	NPC55832
0.8741	High Similarity	NPC26051
0.8741	High Similarity	NPC268204
0.8741	High Similarity	NPC3188
0.8741	High Similarity	NPC52789
0.8741	High Similarity	NPC469404
0.8732	High Similarity	NPC195357
0.8732	High Similarity	NPC152771
0.8723	High Similarity	NPC211110
0.8723	High Similarity	NPC250266
0.8723	High Similarity	NPC471071
0.8723	High Similarity	NPC151946
0.8723	High Similarity	NPC471070
0.8723	High Similarity	NPC471072
0.8723	High Similarity	NPC472419
0.8723	High Similarity	NPC279573
0.8723	High Similarity	NPC253616
0.8723	High Similarity	NPC307883
0.8723	High Similarity	NPC266597
0.8722	High Similarity	NPC472518
0.8722	High Similarity	NPC109675
0.8722	High Similarity	NPC273772
0.8722	High Similarity	NPC315807
0.8714	High Similarity	NPC104796
0.8714	High Similarity	NPC26954
0.8714	High Similarity	NPC38099
0.8707	High Similarity	NPC469932
0.8707	High Similarity	NPC100818
0.8707	High Similarity	NPC104236
0.8707	High Similarity	NPC266499
0.8707	High Similarity	NPC164205
0.8705	High Similarity	NPC326600
0.8705	High Similarity	NPC204353
0.8705	High Similarity	NPC50896
0.8699	High Similarity	NPC308200
0.8699	High Similarity	NPC24673
0.8699	High Similarity	NPC97716
0.8699	High Similarity	NPC23728
0.8699	High Similarity	NPC201731
0.8699	High Similarity	NPC110303
0.8699	High Similarity	NPC104406
0.8699	High Similarity	NPC79469
0.8699	High Similarity	NPC237635
0.8699	High Similarity	NPC139839
0.8696	High Similarity	NPC112192
0.8696	High Similarity	NPC128348
0.8696	High Similarity	NPC164236
0.8696	High Similarity	NPC66384
0.8696	High Similarity	NPC19157
0.8696	High Similarity	NPC189106
0.8696	High Similarity	NPC309717
0.869	High Similarity	NPC473013
0.869	High Similarity	NPC236766
0.869	High Similarity	NPC197252
0.869	High Similarity	NPC473015
0.869	High Similarity	NPC209040
0.869	High Similarity	NPC224714
0.869	High Similarity	NPC131766

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC310370 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	253
0.1-0.2	837
0.2-0.3	1372
0.3-0.4	2261
0.4-0.5	2248
0.5-0.6	1331
0.6-0.7	596
0.7-0.8	205
0.8-0.85	50
0.85-0.9	8
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8819	High Similarity	NPD4378	Clinical (unspecified phase)
0.8803	High Similarity	NPD3750	Approved
0.8686	High Similarity	NPD6859	Clinical (unspecified phase)
0.8601	High Similarity	NPD7421	Clinical (unspecified phase)
0.8593	High Similarity	NPD2797	Approved
0.8591	High Similarity	NPD7411	Suspended
0.8571	High Similarity	NPD422	Phase 1
0.8562	High Similarity	NPD7410	Clinical (unspecified phase)
0.8487	Intermediate Similarity	NPD7768	Phase 2
0.8451	Intermediate Similarity	NPD3748	Approved
0.8431	Intermediate Similarity	NPD7075	Discontinued
0.8417	Intermediate Similarity	NPD3268	Approved
0.8411	Intermediate Similarity	NPD6801	Discontinued
0.8403	Intermediate Similarity	NPD1549	Phase 2
0.8392	Intermediate Similarity	NPD2935	Discontinued
0.8369	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.8369	Intermediate Similarity	NPD5124	Phase 1
0.8355	Intermediate Similarity	NPD7819	Suspended
0.8355	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8344	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8322	Intermediate Similarity	NPD1510	Phase 2
0.8298	Intermediate Similarity	NPD1240	Approved
0.8288	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.8286	Intermediate Similarity	NPD2313	Discontinued
0.8278	Intermediate Similarity	NPD4380	Phase 2
0.8264	Intermediate Similarity	NPD2796	Approved
0.8264	Intermediate Similarity	NPD1551	Phase 2
0.8248	Intermediate Similarity	NPD3225	Approved
0.8247	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8243	Intermediate Similarity	NPD6799	Approved
0.8235	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.82	Intermediate Similarity	NPD920	Approved
0.8194	Intermediate Similarity	NPD2799	Discontinued
0.8194	Intermediate Similarity	NPD4308	Phase 3
0.8188	Intermediate Similarity	NPD1203	Approved
0.8182	Intermediate Similarity	NPD1607	Approved
0.8156	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.8156	Intermediate Similarity	NPD1296	Phase 2
0.8134	Intermediate Similarity	NPD1548	Phase 1
0.8117	Intermediate Similarity	NPD2801	Approved
0.8113	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8095	Intermediate Similarity	NPD1243	Approved
0.8079	Intermediate Similarity	NPD5403	Approved
0.8077	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8077	Intermediate Similarity	NPD3749	Approved
0.8075	Intermediate Similarity	NPD5844	Phase 1
0.8067	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.8065	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8058	Intermediate Similarity	NPD3266	Approved
0.8058	Intermediate Similarity	NPD3267	Approved
0.8041	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8039	Intermediate Similarity	NPD6599	Discontinued
0.8027	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8014	Intermediate Similarity	NPD4908	Phase 1
0.8014	Intermediate Similarity	NPD6832	Phase 2
0.8	Intermediate Similarity	NPD1511	Approved
0.7987	Intermediate Similarity	NPD6232	Discontinued
0.7974	Intermediate Similarity	NPD3226	Approved
0.7971	Intermediate Similarity	NPD9717	Approved
0.7963	Intermediate Similarity	NPD7286	Phase 2
0.7949	Intermediate Similarity	NPD5402	Approved
0.7949	Intermediate Similarity	NPD3817	Phase 2
0.7947	Intermediate Similarity	NPD5401	Approved
0.7947	Intermediate Similarity	NPD2534	Approved
0.7947	Intermediate Similarity	NPD2532	Approved
0.7947	Intermediate Similarity	NPD2533	Approved
0.7945	Intermediate Similarity	NPD7033	Discontinued
0.7935	Intermediate Similarity	NPD1934	Approved
0.7933	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7919	Intermediate Similarity	NPD4628	Phase 3
0.7917	Intermediate Similarity	NPD4307	Phase 2
0.7902	Intermediate Similarity	NPD6798	Discontinued
0.7899	Intermediate Similarity	NPD1610	Phase 2
0.7895	Intermediate Similarity	NPD1512	Approved
0.7885	Intermediate Similarity	NPD1465	Phase 2
0.7866	Intermediate Similarity	NPD5953	Discontinued
0.7853	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7852	Intermediate Similarity	NPD2800	Approved
0.7852	Intermediate Similarity	NPD1652	Phase 2
0.7842	Intermediate Similarity	NPD1481	Phase 2
0.784	Intermediate Similarity	NPD7473	Discontinued
0.7838	Intermediate Similarity	NPD2346	Discontinued
0.7834	Intermediate Similarity	NPD4288	Approved
0.7818	Intermediate Similarity	NPD6559	Discontinued
0.7791	Intermediate Similarity	NPD3818	Discontinued
0.7785	Intermediate Similarity	NPD3882	Suspended
0.7778	Intermediate Similarity	NPD3764	Approved
0.777	Intermediate Similarity	NPD1535	Discovery
0.7764	Intermediate Similarity	NPD7229	Phase 3
0.7762	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7724	Intermediate Similarity	NPD6233	Phase 2
0.7718	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7714	Intermediate Similarity	NPD1608	Approved
0.7708	Intermediate Similarity	NPD4625	Phase 3
0.7702	Intermediate Similarity	NPD6959	Discontinued
0.7687	Intermediate Similarity	NPD5535	Approved
0.7682	Intermediate Similarity	NPD7003	Approved
0.7651	Intermediate Similarity	NPD6100	Approved
0.7651	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7651	Intermediate Similarity	NPD4477	Approved
0.7651	Intermediate Similarity	NPD4476	Approved
0.7651	Intermediate Similarity	NPD6099	Approved
0.764	Intermediate Similarity	NPD5494	Approved
0.7639	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7628	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7625	Intermediate Similarity	NPD6971	Discontinued
0.7619	Intermediate Similarity	NPD230	Phase 1
0.7619	Intermediate Similarity	NPD447	Suspended
0.7619	Intermediate Similarity	NPD6355	Discontinued
0.7619	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7609	Intermediate Similarity	NPD9545	Approved
0.7609	Intermediate Similarity	NPD1894	Discontinued
0.76	Intermediate Similarity	NPD6005	Phase 3
0.76	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.76	Intermediate Similarity	NPD6002	Phase 3
0.76	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.76	Intermediate Similarity	NPD6004	Phase 3
0.7597	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7595	Intermediate Similarity	NPD37	Approved
0.7578	Intermediate Similarity	NPD6234	Discontinued
0.7578	Intermediate Similarity	NPD919	Approved
0.7569	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7568	Intermediate Similarity	NPD6651	Approved
0.7564	Intermediate Similarity	NPD1653	Approved
0.7562	Intermediate Similarity	NPD4965	Approved
0.7562	Intermediate Similarity	NPD4966	Approved
0.7562	Intermediate Similarity	NPD4967	Phase 2
0.7561	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD6166	Phase 2
0.756	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD4060	Phase 1
0.7551	Intermediate Similarity	NPD1613	Approved
0.7551	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7547	Intermediate Similarity	NPD8455	Phase 2
0.7532	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.753	Intermediate Similarity	NPD7054	Approved
0.75	Intermediate Similarity	NPD2798	Approved
0.75	Intermediate Similarity	NPD1933	Approved
0.75	Intermediate Similarity	NPD1241	Discontinued
0.75	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1019	Discontinued
0.75	Intermediate Similarity	NPD17	Approved
0.7485	Intermediate Similarity	NPD7074	Phase 3
0.7485	Intermediate Similarity	NPD7472	Approved
0.7483	Intermediate Similarity	NPD2344	Approved
0.7483	Intermediate Similarity	NPD1283	Approved
0.7468	Intermediate Similarity	NPD7440	Discontinued
0.7468	Intermediate Similarity	NPD6502	Phase 2
0.7464	Intermediate Similarity	NPD9493	Approved
0.7456	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD3847	Discontinued
0.744	Intermediate Similarity	NPD6797	Phase 2
0.7436	Intermediate Similarity	NPD5049	Phase 3
0.7436	Intermediate Similarity	NPD6273	Approved
0.7415	Intermediate Similarity	NPD411	Approved
0.7413	Intermediate Similarity	NPD4749	Approved
0.7405	Intermediate Similarity	NPD7458	Discontinued
0.74	Intermediate Similarity	NPD7097	Phase 1
0.7396	Intermediate Similarity	NPD7251	Discontinued
0.7394	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7383	Intermediate Similarity	NPD4618	Approved
0.7383	Intermediate Similarity	NPD4622	Approved
0.7383	Intermediate Similarity	NPD4340	Discontinued
0.7378	Intermediate Similarity	NPD7199	Phase 2
0.7376	Intermediate Similarity	NPD4626	Approved
0.7365	Intermediate Similarity	NPD4062	Phase 3
0.7355	Intermediate Similarity	NPD6666	Approved
0.7355	Intermediate Similarity	NPD6667	Approved
0.7353	Intermediate Similarity	NPD7808	Phase 3
0.7351	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD3027	Phase 3
0.7345	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD5710	Approved
0.7333	Intermediate Similarity	NPD5711	Approved
0.7329	Intermediate Similarity	NPD2861	Phase 2
0.7324	Intermediate Similarity	NPD3496	Discontinued
0.732	Intermediate Similarity	NPD2424	Discontinued
0.7315	Intermediate Similarity	NPD2979	Phase 3
0.731	Intermediate Similarity	NPD1164	Approved
0.7308	Intermediate Similarity	NPD7213	Phase 3
0.7308	Intermediate Similarity	NPD7212	Phase 2
0.7303	Intermediate Similarity	NPD5405	Approved
0.7303	Intermediate Similarity	NPD5404	Approved
0.7303	Intermediate Similarity	NPD5406	Approved
0.7303	Intermediate Similarity	NPD5408	Approved
0.7297	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD9697	Approved
0.729	Intermediate Similarity	NPD2309	Approved
0.729	Intermediate Similarity	NPD6190	Approved
0.7289	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7285	Intermediate Similarity	NPD5689	Approved
0.7285	Intermediate Similarity	NPD5688	Approved
0.7279	Intermediate Similarity	NPD2614	Approved
0.7273	Intermediate Similarity	NPD1281	Approved
0.7273	Intermediate Similarity	NPD1247	Approved
0.7262	Intermediate Similarity	NPD7228	Approved

Structure

CID310370 OpenBabel06191716122D 27 29 0 0 0 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 -6.0622 1.5000 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 -4.3301 1.5000 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 -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 2.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 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 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 3.4641 3.0000 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 -2.5981 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 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 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 -0.8660 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 0 0 0 0 0 0 0 0 0 0 4.3301 3.5000 0.0000 O 0 0 0 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 -3.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 O 0 0 0 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 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 3 26 1 0 0 0 0 4 6 1 0 0 0 0 4 11 2 0 0 0 0 5 7 2 0 0 0 0 5 12 1 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 8 12 2 0 0 0 0 8 17 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 20 2 0 0 0 0 15 21 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 27 1 0 0 0 0 20 26 1 0 0 0 0 21 25 2 0 0 0 0 21 27 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5317756
ChEMBL	CHEMBL1223642
ZINC

Physicochemical Properties

Molecular Weight:	368.13
ALogP:	0.6258
MLogP:	3.11
XLogP:	2.926
# Rotatable Bonds:	10
Polar Surface Area:	96.22
# H-Bond Aceptor:	1
# H-Bond Donor:	3
# Rings:	3
# Heavy Atoms:	27

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