CFam Chemical Families Database
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You are searching for "CFAMM00409231" in compound.

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CFAM Mol ID CFAMM00409231
Family CFFBM11409 Cathepsin S and Cathepsin K inhibitor SureCN3018173 family
Superfamily CFSCD686 Emricasan Superfamily
Class CFCCD484 Class 1297
External ID CHEMBL1798007 External Source CHEMBL
PubChem CID 52951464 Functional Category Bioactive
Molecule Name tert-butyl N-[(2S,3S)-1-[(3S)-7-[2-(hydroxyamino)-2-oxoethoxy]-3-[(4-methoxyphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylpentan-2-yl]carbamate
IUPAC Name tert-butyl N-[(2S,3S)-1-[(3S)-7-[2-(hydroxyamino)-2-oxoethoxy]-3-[(4-methoxyphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylpentan-2-yl]carbamate
Synonyms
InChi InChI=1S/C30H42N4O7/c1-7-19(2)25(32-29(37)41-30(3,4)5)17-34-16-21-14-24(40-18-27(35)33-38)11-8-20(21)15-26(34)28(36)31-22-9-12-23(39-6)13-10-22/h8-14,19,25-26,38H,7,15-18H2,1-6H3,(H,31,36)(H,32,37)(H,33,35)/t19-,25+,26-/m0/s1
InChiKey CBAVAZZYVBNYMS-YZYNAAERSA-N
Formula C30H42N4O7 Molecular Weight 570.68
Cross Link CHEMBL1798007
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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