CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00163641" in compound.

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CFAM Mol ID CFAMM00163641
Family CFFCD540 Histone deacetylase 1 Inhibitor AN-9 Family
Superfamily CFSCD494 Histone deacetylase 1 Inhibitor AN-9 Superfamily
Class CFCCD348 Class 1161
External ID ZINC32124302 External Source ZINC
PubChem CID 39378157 Functional Category Natural Product
Molecule Name (S)-3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl)-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
IUPAC Name (3S)-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Synonyms MolPort-008-347-569;ZINC32124302;MCULE-8246931690
InChi InChI=1S/C21H21N3O3/c25-19(24-12-11-14-5-1-2-6-15(14)13-24)10-9-18-21(27)22-17-8-4-3-7-16(17)20(26)23-18/h1-8,18H,9-13H2,(H,22,27)(H,23,26)/t18-/m0/s1
InChiKey GJTPOECHOGSMOM-SFHVURJKSA-N
Formula C21H21N3O3 Molecular Weight 363.41
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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