CFam Chemical Families Database
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You are searching for "CFAMM00471864" in compound.

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CFAM Mol ID CFAMM00471864
Family CFFBM24813 Histone deacetylase 8 and Histone deacetylase 6 inhibitor (3S)-2-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]-7-[2-(hydroxyamino)-2-oxoethoxy]-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride family
Superfamily CFSBM1344 Disintegrin and Lethal factor Binder Superfamily
Class CFCID210 Class 1560
External ID CHEMBL1798008 External Source CHEMBL
PubChem CID 52951465 Functional Category Bioactive
Molecule Name (3S)-2-[(2S,3S)-2-(3,3-dimethylbutanoylamino)-3-methylpentyl]-7-[2-(hydroxyamino)-2-oxoethoxy]-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
IUPAC Name (3S)-2-[(2S,3S)-2-(3,3-dimethylbutanoylamino)-3-methylpentyl]-7-[2-(hydroxyamino)-2-oxoethoxy]-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Synonyms
InChi InChI=1S/C31H44N4O6/c1-7-20(2)26(33-28(36)16-31(3,4)5)18-35-17-22-14-25(41-19-29(37)34-39)11-8-21(22)15-27(35)30(38)32-23-9-12-24(40-6)13-10-23/h8-14,20,26-27,39H,7,15-19H2,1-6H3,(H,32,38)(H,33,36)(H,34,37)/t20-,26+,27-/m0/s1
InChiKey QGRJCELBIMUQGG-BAURHKQJSA-N
Formula C31H44N4O6 Molecular Weight 568.70
Cross Link CHEMBL1798008
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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