CFam Chemical Families Database
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You are searching for "CFAMM00416140" in compound.

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CFAM Mol ID CFAMM00416140
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 CHEMBL583546 External Source CHEMBL
PubChem CID 45487005 Functional Category Bioactive
Molecule Name N-[(2S,3R)-4-[[(3R,6S)-3-(3-tert-butylphenyl)-6-(methanesulfonamido)piperidin-3-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
IUPAC Name N-[(2S,3R)-4-[[(3R,6S)-3-(3-tert-butylphenyl)-6-(methanesulfonamido)piperidin-3-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
Synonyms CHEBI:681130
InChi InChI=1S/C28H40F2N4O4S/c1-18(35)33-24(13-19-11-22(29)15-23(30)12-19)25(36)16-32-28(10-9-26(31-17-28)34-39(5,37)38)21-8-6-7-20(14-21)27(2,3)4/h6-8,11-12,14-15,24-26,31-32,34,36H,9-10,13,16-17H2,1-5H3,(H,33,35)/t24-,25+,26-,28-/m0/s1
InChiKey MMCCCNBFTJJMNA-RVUATISTSA-N
Formula C28H40F2N4O4S Molecular Weight 566.70
Cross Link CHEMBL583546
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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