CFam Chemical Families Database
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You are searching for "CFAMM00355978" in compound.

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CFAM Mol ID CFAMM00355978
Family CFFBM4430 Neutrophil collagenase and Stromelysin-1 inhibitor tert-butyl (3S)-4-[[3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxo-3-[(2-phenylacetyl)amino]butanoate family
Superfamily CFSBM2376 Neutrophil collagenase and Stromelysin-1 Binder Superfamily
Class CFCBM928 Class 3978
External ID CHEMBL262264 External Source CHEMBL
PubChem CID 44300163 Functional Category Bioactive
Molecule Name tert-butyl (3S)-4-[[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
IUPAC Name tert-butyl (3S)-4-[[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
Synonyms CHEBI:188692
InChi InChI=1S/C33H38N4O10S/c1-33(2,3)47-29(38)18-27(35-32(41)46-20-21-8-6-5-7-9-21)30(39)34-24-11-10-22-17-28(31(40)36-42)37(19-23(22)16-24)48(43,44)26-14-12-25(45-4)13-15-26/h5-16,27-28,42H,17-20H2,1-4H3,(H,34,39)(H,35,41)(H,36,40)/t27-,28-/m0/s1
InChiKey FEGDHECAHSRZEF-NSOVKSMOSA-N
Formula C33H38N4O10S Molecular Weight 682.74
Cross Link CHEMBL262264
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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