NPASS Natural Product

Natural Product: NPC237904

Natural Product ID:	NPC237904
Common Name:	Hematoxylol
IUPAC Name:
Synonyms:	Hematoxylol
Molecular Formula:	C15H12O6
Standard InCHIKey:	LEPIYKZUVABWRZ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C15H12O6/c16-8-3-7-4-12(18)13(19)5-10(7)9-1-2-11(17)14(20)15(9)21-6-8/h1-2,4-5,17-20H,3,6H2
Canonical SMILES:	O=C1COc2c(c3c(C1)cc(O)c(c3)O)ccc(c2O)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
NPO32846	heamatoxylon campechianum	Species	NA	NA	Stems	XiShuangBanNa, Yunnan Province, China	2005-SEP	PMID[18610999]

Biological Activity

Activity Type	# Activity
Others	7

Activity Type	# Activity
Individual Protein	7

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1481	Individual Protein	Fibroblast growth factor receptor 2	Homo sapiens	Inhibition	=	54.8	%	24095094
NPT36	Individual Protein	Tyrosine-protein kinase SRC	Homo sapiens	Inhibition	=	94.4	%	25211145
NPT285	Individual Protein	Epidermal growth factor receptor erbB1	Homo sapiens	Inhibition	=	83.2	%	12608857
NPT1480	Individual Protein	Fibroblast growth factor receptor 1	Homo sapiens	Inhibition	=	98.4	%	PubChem BioAssay data set
NPT1478	Individual Protein	Vascular endothelial growth factor receptor 2	Homo sapiens	Inhibition	=	93	%	18177008
NPT1479	Individual Protein	Stem cell growth factor receptor	Homo sapiens	Inhibition	=	90.4	%	PubChem BioAssay data set
NPT1337	Individual Protein	Hepatocyte growth factor receptor	Homo sapiens	Inhibition	=	87.4	%	16180824

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 NPC237904 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	326
0.1-0.2	1275
0.2-0.3	2939
0.3-0.4	7370
0.4-0.5	5530
0.5-0.6	2457
0.6-0.7	4037
0.7-0.8	5629
0.8-0.85	1211
0.85-0.9	113
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9858	High Similarity	NPC223592
0.9195	High Similarity	NPC28103
0.8784	High Similarity	NPC474982
0.8766	High Similarity	NPC153512
0.8725	High Similarity	NPC474799
0.871	High Similarity	NPC471479
0.871	High Similarity	NPC471515
0.8707	High Similarity	NPC472332
0.8707	High Similarity	NPC472335
0.8701	High Similarity	NPC80534
0.8701	High Similarity	NPC56786
0.8693	High Similarity	NPC260979
0.8693	High Similarity	NPC82325
0.8693	High Similarity	NPC246162
0.8693	High Similarity	NPC240476
0.8693	High Similarity	NPC9743
0.8693	High Similarity	NPC260491
0.8693	High Similarity	NPC36835
0.8693	High Similarity	NPC279989
0.8693	High Similarity	NPC61506
0.8693	High Similarity	NPC304954
0.8684	High Similarity	NPC151473
0.8684	High Similarity	NPC260582
0.8679	High Similarity	NPC477517
0.8654	High Similarity	NPC55738
0.8654	High Similarity	NPC245891
0.8654	High Similarity	NPC104876
0.8645	High Similarity	NPC13858
0.8645	High Similarity	NPC471500
0.8645	High Similarity	NPC326037
0.8645	High Similarity	NPC474638
0.8645	High Similarity	NPC320825
0.8639	High Similarity	NPC19158
0.8636	High Similarity	NPC78326
0.8636	High Similarity	NPC27532
0.8636	High Similarity	NPC256346
0.8636	High Similarity	NPC141212
0.8636	High Similarity	NPC469550
0.8636	High Similarity	NPC179126
0.8636	High Similarity	NPC270620
0.8636	High Similarity	NPC246328
0.8636	High Similarity	NPC236223
0.8636	High Similarity	NPC325028
0.8627	High Similarity	NPC200740
0.8627	High Similarity	NPC125062
0.8627	High Similarity	NPC272566
0.8627	High Similarity	NPC78505
0.8627	High Similarity	NPC252933
0.8627	High Similarity	NPC54394
0.8609	High Similarity	NPC86847
0.8609	High Similarity	NPC140840
0.8599	High Similarity	NPC36217
0.8599	High Similarity	NPC474960
0.859	High Similarity	NPC472963
0.859	High Similarity	NPC67876
0.859	High Similarity	NPC111969
0.859	High Similarity	NPC52530
0.8581	High Similarity	NPC110419
0.8581	High Similarity	NPC20541
0.8581	High Similarity	NPC67396
0.8571	High Similarity	NPC219582
0.8571	High Similarity	NPC472912
0.8571	High Similarity	NPC123886
0.8571	High Similarity	NPC302950
0.8571	High Similarity	NPC19721
0.8571	High Similarity	NPC109240
0.8571	High Similarity	NPC55205
0.8571	High Similarity	NPC236637
0.8562	High Similarity	NPC188871
0.8562	High Similarity	NPC286342
0.8562	High Similarity	NPC29231
0.8562	High Similarity	NPC149127
0.8553	High Similarity	NPC19545
0.8553	High Similarity	NPC43669
0.8553	High Similarity	NPC1755
0.8553	High Similarity	NPC1706
0.8553	High Similarity	NPC196277
0.8553	High Similarity	NPC188679
0.8553	High Similarity	NPC3036
0.8553	High Similarity	NPC294852
0.8553	High Similarity	NPC39305
0.8553	High Similarity	NPC263092
0.8553	High Similarity	NPC272721
0.8553	High Similarity	NPC59295
0.8553	High Similarity	NPC321011
0.8544	High Similarity	NPC173137
0.8543	High Similarity	NPC472333
0.8543	High Similarity	NPC179271
0.8543	High Similarity	NPC208507
0.8543	High Similarity	NPC20791
0.8535	High Similarity	NPC280680
0.8533	High Similarity	NPC207732
0.8526	High Similarity	NPC472907
0.8526	High Similarity	NPC24640
0.8526	High Similarity	NPC201837
0.8526	High Similarity	NPC43243
0.8526	High Similarity	NPC265511
0.8526	High Similarity	NPC245546
0.8526	High Similarity	NPC250922
0.8526	High Similarity	NPC472461
0.8526	High Similarity	NPC266960
0.8526	High Similarity	NPC469474
0.8523	High Similarity	NPC312256
0.8516	High Similarity	NPC472905
0.8516	High Similarity	NPC162351
0.8516	High Similarity	NPC58382
0.8516	High Similarity	NPC18727
0.8506	High Similarity	NPC28274
0.8506	High Similarity	NPC225731
0.8506	High Similarity	NPC133953
0.8506	High Similarity	NPC236769
0.8506	High Similarity	NPC260895
0.8506	High Similarity	NPC50403
0.8506	High Similarity	NPC31363
0.85	High Similarity	NPC475888
0.8497	Intermediate Similarity	NPC183959
0.8497	Intermediate Similarity	NPC183950
0.8497	Intermediate Similarity	NPC287101
0.8497	Intermediate Similarity	NPC270465
0.8497	Intermediate Similarity	NPC223579
0.8497	Intermediate Similarity	NPC159103
0.8497	Intermediate Similarity	NPC87125
0.8497	Intermediate Similarity	NPC52005
0.8497	Intermediate Similarity	NPC105512
0.8497	Intermediate Similarity	NPC137062
0.8497	Intermediate Similarity	NPC1612
0.8493	Intermediate Similarity	NPC471182
0.8491	Intermediate Similarity	NPC238995
0.8491	Intermediate Similarity	NPC272722
0.8491	Intermediate Similarity	NPC472964
0.8491	Intermediate Similarity	NPC211107
0.8491	Intermediate Similarity	NPC201800
0.8487	Intermediate Similarity	NPC77378
0.8487	Intermediate Similarity	NPC74881
0.8487	Intermediate Similarity	NPC77598
0.8487	Intermediate Similarity	NPC51443
0.8487	Intermediate Similarity	NPC125449
0.8487	Intermediate Similarity	NPC168803
0.8487	Intermediate Similarity	NPC95864
0.8487	Intermediate Similarity	NPC188074
0.8481	Intermediate Similarity	NPC472902
0.8481	Intermediate Similarity	NPC287328
0.8481	Intermediate Similarity	NPC263449
0.8481	Intermediate Similarity	NPC470183
0.8481	Intermediate Similarity	NPC282009
0.8481	Intermediate Similarity	NPC471744
0.8477	Intermediate Similarity	NPC157133
0.8471	Intermediate Similarity	NPC129684
0.8471	Intermediate Similarity	NPC163524
0.8471	Intermediate Similarity	NPC136674
0.8471	Intermediate Similarity	NPC299520
0.8471	Intermediate Similarity	NPC300727
0.8471	Intermediate Similarity	NPC273843
0.8471	Intermediate Similarity	NPC110070
0.8471	Intermediate Similarity	NPC176665
0.8471	Intermediate Similarity	NPC203891
0.8471	Intermediate Similarity	NPC287979
0.8471	Intermediate Similarity	NPC241904
0.8471	Intermediate Similarity	NPC305663
0.8471	Intermediate Similarity	NPC101830
0.8467	Intermediate Similarity	NPC16353
0.8462	Intermediate Similarity	NPC44079
0.8462	Intermediate Similarity	NPC26227
0.8462	Intermediate Similarity	NPC201451
0.8462	Intermediate Similarity	NPC133392
0.8457	Intermediate Similarity	NPC247136
0.8452	Intermediate Similarity	NPC120537
0.8452	Intermediate Similarity	NPC27208
0.8452	Intermediate Similarity	NPC257648
0.8452	Intermediate Similarity	NPC199100
0.8452	Intermediate Similarity	NPC477231
0.8452	Intermediate Similarity	NPC180234
0.8442	Intermediate Similarity	NPC50728
0.8442	Intermediate Similarity	NPC475718
0.8442	Intermediate Similarity	NPC85131
0.8442	Intermediate Similarity	NPC166753
0.8442	Intermediate Similarity	NPC61620
0.8438	Intermediate Similarity	NPC186686
0.8438	Intermediate Similarity	NPC474240
0.8431	Intermediate Similarity	NPC80710
0.8431	Intermediate Similarity	NPC203747
0.8431	Intermediate Similarity	NPC120464
0.8431	Intermediate Similarity	NPC119059
0.8431	Intermediate Similarity	NPC218569
0.8431	Intermediate Similarity	NPC139364
0.8431	Intermediate Similarity	NPC254702
0.8431	Intermediate Similarity	NPC194653
0.8428	Intermediate Similarity	NPC471499
0.8428	Intermediate Similarity	NPC112418
0.8428	Intermediate Similarity	NPC308992
0.8421	Intermediate Similarity	NPC138978
0.8421	Intermediate Similarity	NPC169749
0.8418	Intermediate Similarity	NPC191459
0.8418	Intermediate Similarity	NPC476242
0.8418	Intermediate Similarity	NPC261004
0.8418	Intermediate Similarity	NPC22472
0.8418	Intermediate Similarity	NPC204854
0.8418	Intermediate Similarity	NPC195832
0.8418	Intermediate Similarity	NPC19687
0.8418	Intermediate Similarity	NPC7846

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC237904 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	337
0.1-0.2	925
0.2-0.3	1734
0.3-0.4	2691
0.4-0.5	1758
0.5-0.6	1020
0.6-0.7	547
0.7-0.8	130
0.8-0.85	16
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8645	High Similarity	NPD3882	Suspended
0.8571	High Similarity	NPD1934	Approved
0.8543	High Similarity	NPD1512	Approved
0.8411	Intermediate Similarity	NPD1511	Approved
0.828	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.828	Intermediate Similarity	NPD2801	Approved
0.828	Intermediate Similarity	NPD1465	Phase 2
0.8272	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8272	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8272	Intermediate Similarity	NPD6166	Phase 2
0.8228	Intermediate Similarity	NPD3817	Phase 2
0.8219	Intermediate Similarity	NPD1613	Approved
0.8219	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.821	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.8194	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8125	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.8063	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8013	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8013	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD7199	Phase 2
0.7961	Intermediate Similarity	NPD1549	Phase 2
0.7952	Intermediate Similarity	NPD3818	Discontinued
0.7935	Intermediate Similarity	NPD6799	Approved
0.7929	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7917	Intermediate Similarity	NPD6797	Phase 2
0.7904	Intermediate Similarity	NPD5844	Phase 1
0.7901	Intermediate Similarity	NPD7075	Discontinued
0.7891	Intermediate Similarity	NPD3027	Phase 3
0.7885	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7881	Intermediate Similarity	NPD1510	Phase 2
0.787	Intermediate Similarity	NPD7251	Discontinued
0.7862	Intermediate Similarity	NPD6599	Discontinued
0.7857	Intermediate Similarity	NPD3750	Approved
0.7857	Intermediate Similarity	NPD7074	Phase 3
0.7853	Intermediate Similarity	NPD919	Approved
0.7838	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7826	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7824	Intermediate Similarity	NPD7808	Phase 3
0.7818	Intermediate Similarity	NPD3787	Discontinued
0.7818	Intermediate Similarity	NPD6232	Discontinued
0.7811	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7798	Intermediate Similarity	NPD7054	Approved
0.7784	Intermediate Similarity	NPD7473	Discontinued
0.7758	Intermediate Similarity	NPD1247	Approved
0.7751	Intermediate Similarity	NPD7472	Approved
0.7744	Intermediate Similarity	NPD6234	Discontinued
0.7738	Intermediate Similarity	NPD3751	Discontinued
0.7733	Intermediate Similarity	NPD1240	Approved
0.7733	Intermediate Similarity	NPD4060	Phase 1
0.7733	Intermediate Similarity	NPD943	Approved
0.7727	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7716	Intermediate Similarity	NPD7819	Suspended
0.7712	Intermediate Similarity	NPD6099	Approved
0.7712	Intermediate Similarity	NPD6100	Approved
0.7708	Intermediate Similarity	NPD1610	Phase 2
0.7665	Intermediate Similarity	NPD3926	Phase 2
0.7654	Intermediate Similarity	NPD6801	Discontinued
0.7647	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.764	Intermediate Similarity	NPD4380	Phase 2
0.7632	Intermediate Similarity	NPD1607	Approved
0.759	Intermediate Similarity	NPD5494	Approved
0.7576	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7566	Intermediate Similarity	NPD6355	Discontinued
0.7566	Intermediate Similarity	NPD230	Phase 1
0.7552	Intermediate Similarity	NPD1548	Phase 1
0.7546	Intermediate Similarity	NPD37	Approved
0.7545	Intermediate Similarity	NPD6959	Discontinued
0.7534	Intermediate Similarity	NPD1608	Approved
0.7532	Intermediate Similarity	NPD3748	Approved
0.7515	Intermediate Similarity	NPD4967	Phase 2
0.7515	Intermediate Similarity	NPD4966	Approved
0.7515	Intermediate Similarity	NPD4965	Approved
0.7485	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD2796	Approved
0.7483	Intermediate Similarity	NPD6798	Discontinued
0.747	Intermediate Similarity	NPD3749	Approved
0.7468	Intermediate Similarity	NPD6190	Approved
0.7467	Intermediate Similarity	NPD4908	Phase 1
0.7455	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD5402	Approved
0.7453	Intermediate Similarity	NPD5403	Approved
0.7438	Intermediate Similarity	NPD5401	Approved
0.7438	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7427	Intermediate Similarity	NPD7228	Approved
0.7417	Intermediate Similarity	NPD4625	Phase 3
0.7405	Intermediate Similarity	NPD4628	Phase 3
0.74	Intermediate Similarity	NPD9494	Approved
0.7386	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7375	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7372	Intermediate Similarity	NPD1551	Phase 2
0.7368	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7346	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD17	Approved
0.7329	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7301	Intermediate Similarity	NPD1653	Approved
0.7294	Intermediate Similarity	NPD7229	Phase 3
0.7273	Intermediate Similarity	NPD7411	Suspended
0.7233	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD2533	Approved
0.7222	Intermediate Similarity	NPD2534	Approved
0.7222	Intermediate Similarity	NPD2532	Approved
0.7209	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD6233	Phase 2
0.7202	Intermediate Similarity	NPD7768	Phase 2
0.72	Intermediate Similarity	NPD1283	Approved
0.719	Intermediate Similarity	NPD7095	Approved
0.7183	Intermediate Similarity	NPD228	Approved
0.7178	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD3018	Phase 2
0.7159	Intermediate Similarity	NPD6559	Discontinued
0.7151	Intermediate Similarity	NPD2494	Approved
0.7151	Intermediate Similarity	NPD3450	Approved
0.7151	Intermediate Similarity	NPD3452	Approved
0.7151	Intermediate Similarity	NPD2493	Approved
0.7143	Intermediate Similarity	NPD1651	Approved
0.7127	Intermediate Similarity	NPD2488	Approved
0.7127	Intermediate Similarity	NPD2490	Approved
0.7125	Intermediate Similarity	NPD2800	Approved
0.7117	Intermediate Similarity	NPD3146	Approved
0.7117	Intermediate Similarity	NPD3688	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD447	Suspended
0.7114	Intermediate Similarity	NPD422	Phase 1
0.7107	Intermediate Similarity	NPD5762	Approved
0.7107	Intermediate Similarity	NPD2344	Approved
0.7107	Intermediate Similarity	NPD5763	Approved
0.7099	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD4062	Phase 3
0.7089	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD4110	Phase 3
0.7074	Intermediate Similarity	NPD4004	Approved
0.7074	Intermediate Similarity	NPD4002	Approved
0.7072	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD2861	Phase 2
0.7051	Intermediate Similarity	NPD1558	Phase 1
0.7039	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD4583	Approved
0.7037	Intermediate Similarity	NPD4582	Approved
0.7032	Intermediate Similarity	NPD3268	Approved
0.703	Intermediate Similarity	NPD920	Approved
0.702	Intermediate Similarity	NPD2982	Phase 2
0.702	Intermediate Similarity	NPD4749	Approved
0.702	Intermediate Similarity	NPD2983	Phase 2
0.7019	Intermediate Similarity	NPD1243	Approved
0.7012	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD1281	Approved
0.6995	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD8455	Phase 2
0.6981	Remote Similarity	NPD7033	Discontinued
0.6966	Remote Similarity	NPD7240	Approved
0.6966	Remote Similarity	NPD5283	Phase 1
0.6964	Remote Similarity	NPD5090	Approved
0.6964	Remote Similarity	NPD5089	Approved
0.6957	Remote Similarity	NPD4534	Discontinued
0.6957	Remote Similarity	NPD5958	Discontinued
0.6957	Remote Similarity	NPD2897	Discontinued
0.6954	Remote Similarity	NPD9269	Phase 2
0.6954	Remote Similarity	NPD5242	Approved
0.6954	Remote Similarity	NPD1481	Phase 2
0.6954	Remote Similarity	NPD2981	Phase 2
0.6946	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD3226	Approved
0.6941	Remote Similarity	NPD4288	Approved
0.6937	Remote Similarity	NPD2438	Suspended
0.6937	Remote Similarity	NPD2935	Discontinued
0.6937	Remote Similarity	NPD1501	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD4476	Approved
0.6937	Remote Similarity	NPD4477	Approved
0.6935	Remote Similarity	NPD2975	Approved
0.6935	Remote Similarity	NPD2974	Approved
0.6935	Remote Similarity	NPD2973	Approved
0.6933	Remote Similarity	NPD2354	Approved
0.6933	Remote Similarity	NPD2309	Approved
0.6932	Remote Similarity	NPD2163	Approved
0.6928	Remote Similarity	NPD2797	Approved
0.6928	Remote Similarity	NPD1203	Approved
0.6923	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD1296	Phase 2
0.6914	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD1471	Phase 3
0.6892	Remote Similarity	NPD5536	Phase 2
0.6889	Remote Similarity	NPD3534	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD1535	Discovery
0.6871	Remote Similarity	NPD3892	Phase 2
0.6871	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6868	Remote Similarity	NPD8434	Phase 2
0.6867	Remote Similarity	NPD1778	Approved
0.6864	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD3225	Approved
0.6849	Remote Similarity	NPD1241	Discontinued
0.6848	Remote Similarity	NPD7390	Discontinued
0.6848	Remote Similarity	NPD4357	Discontinued
0.6846	Remote Similarity	NPD1894	Discontinued
0.6835	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD2979	Phase 3
0.6835	Remote Similarity	NPD3620	Phase 2
0.6833	Remote Similarity	NPD4419	Clinical (unspecified phase)

Structure

NPC237904 OpenBabel07101719512D 21 23 0 0 0 0 0 0 0 0999 V2000 -0.4483 2.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 2.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3801 1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9659 2.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2247 2.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 2.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 2.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9659 1.2588 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 -2.0898 -1.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1907 2.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6049 2.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1907 3.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 0.5517 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 2 2 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 7 2 0 0 0 0 4 12 1 0 0 0 0 5 10 2 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 8 16 2 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	15081175
ChEMBL	CHEMBL475940
ZINC

Physicochemical Properties

Molecular Weight:	288.06
ALogP:	-2.4261
MLogP:	2.45
XLogP:	0.278
# Rotatable Bonds:	4
Polar Surface Area:	107.22
# H-Bond Aceptor:	1
# H-Bond Donor:	4
# Rings:	3
# Heavy Atoms:	21

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