CFam Chemical Families Database
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You are searching for "CFAMM00471872" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00471872
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 CHEMBL1798003 External Source CHEMBL
PubChem CID 52951359 Functional Category Bioactive
Molecule Name tert-butyl 4-[[(2S,3S)-1-[(3S)-7-[2-(hydroxyamino)-2-oxoethoxy]-3-[(4-methoxyphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl]piperidine-1-carboxylate
IUPAC Name tert-butyl 4-[[(2S,3S)-1-[(3S)-7-[2-(hydroxyamino)-2-oxoethoxy]-3-[(4-methoxyphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl]piperidine-1-carboxylate
Synonyms
InChi InChI=1S/C36H49N5O9/c1-7-22(2)31(38-32(43)23-14-16-40(17-15-23)35(46)50-36(3,4)5)34(45)41-20-25-18-28(49-21-30(42)39-47)11-8-24(25)19-29(41)33(44)37-26-9-12-27(48-6)13-10-26/h8-13,18,22-23,29,31,47H,7,14-17,19-21H2,1-6H3,(H,37,44)(H,38,43)(H,39,42)/t22-,29-,31-/m0/s1
InChiKey WSQJERGTYUHNMQ-ACXWPOHUSA-N
Formula C36H49N5O9 Molecular Weight 695.80
Cross Link CHEMBL1798003
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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