CFam Chemical Families Database
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You are searching for "CFAMM00263175" in compound.

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CFAM Mol ID CFAMM00263175
Family CFFID2248 Beta-secretase 1 and Cathepsin D Inhibitor GRL-7234 Family
Superfamily CFSID1654 Beta-secretase 1 and Cathepsin D Inhibitor GRL-7234 Superfamily
Class CFCID1049 Class 2399
External ID CHEMBL1210347 External Source CHEMBL
PubChem CID 10054920 Functional Category Bioactive
Molecule Name 3-(4-chloro-N-methylsulfonylanilino)-N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide
IUPAC Name 3-(4-chloro-N-methylsulfonylanilino)-N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide
Synonyms CHEBI:784159
InChi InChI=1S/C33H41ClN4O5S/c1-23(32(40)36-27-13-7-4-8-14-27)35-22-31(39)30(20-24-10-5-3-6-11-24)37-33(41)25-12-9-15-29(21-25)38(44(2,42)43)28-18-16-26(34)17-19-28/h3,5-6,9-12,15-19,21,23,27,30-31,35,39H,4,7-8,13-14,20,22H2,1-2H3,(H,36,40)(H,37,41)/t23-,30-,31+/m0/s1
InChiKey FPRUVWLYPRNZSM-IZDARVJKSA-N
Formula C33H41ClN4O5S Molecular Weight 641.22
Cross Link CHEMBL1210347
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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