CFam Chemical Families Database
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You are searching for "CFAMM00146959" in compound.

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CFAM Mol ID CFAMM00146959
Family CFFCD263 Poly [ADP-ribose] polymerase 1 Inhibitor AG-14699 Family
Superfamily CFSAD59 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand triptan analog Frovatriptan Superfamily
Class CFCAD59 Class 59
External ID ZINC38570995 External Source ZINC
PubChem CID 8015990 Functional Category Natural Product
Molecule Name N-(4-chlorophenyl)-2-(5-oxo-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-4-yl)acetamide hydrochloride
IUPAC Name N-(4-chlorophenyl)-2-[(4S)-5-oxo-2,3,4,6-tetrahydro-1H-azepino[4,5-b]indol-4-yl]acetamide
Synonyms ZINC38570995;N-(4-chlorophenyl)-2-[(4S)-5-oxo-2,3,4,6-tetrahydro-1H-azepino[4,5-b]indol-4-yl]acetamide
InChi InChI=1S/C20H18ClN3O2/c21-12-5-7-13(8-6-12)23-18(25)11-17-20(26)19-15(9-10-22-17)14-3-1-2-4-16(14)24-19/h1-8,17,22,24H,9-11H2,(H,23,25)/t17-/m0/s1
InChiKey QKXNAZRJACIQKZ-KRWDZBQOSA-N
Formula C20H18ClN3O2 Molecular Weight 367.83
Cross Link
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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