CFam Chemical Families Database
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You are searching for "CFAMM00416141" in compound.

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CFAM Mol ID CFAMM00416141
Family CFFBM12498 Beta-secretase 1 and Cathepsin B inhibitor SureCN4666465 family
Superfamily CFSBM581 Beta-secretase 1 and Cathepsin D Binder Superfamily
Class CFCAD168 Class 168
External ID CHEMBL232490 External Source CHEMBL
PubChem CID 10144519 Functional Category Bioactive
Molecule Name SureCN14347864
IUPAC Name (2S)-2-acetamido-3-butylsulfonyl-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]propanamide
Synonyms CHEBI:493592
InChi InChI=1S/C28H39F2N3O5S/c1-4-6-10-39(37,38)18-26(32-19(3)34)28(36)33-25(14-22-12-23(29)15-24(30)13-22)27(35)17-31-16-21-9-7-8-20(5-2)11-21/h7-9,11-13,15,25-27,31,35H,4-6,10,14,16-18H2,1-3H3,(H,32,34)(H,33,36)/t25-,26+,27+/m0/s1
InChiKey YTOZVAMWOLDKNH-OYUWMTPXSA-N
Formula C28H39F2N3O5S Molecular Weight 567.69
Cross Link CHEMBL232490
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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