CFam Chemical Families Database
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You are searching for "CFAMM00313329" in compound.

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CFAM Mol ID CFAMM00313329
Family CFFBM570 Cathepsin K inhibitor N-[(2S)-1-(4-methoxyanilino)propan-2-yl]-1-(3-phenylanilino)cyclohexane-1-carboxamide family
Superfamily CFSBM347 Cathepsin K and Cathepsin L1 Binder Superfamily 2
Class CFCID1067 Class 2417
External ID CHEMBL410532 External Source CHEMBL
PubChem CID 44410738 Functional Category Bioactive
Molecule Name (2S,3R)-N'-[(3S)-1-[[3-(3-methoxyanilino)phenyl]methyl]-2-oxoazepan-3-yl]-3-(2-methylpropyl)-2-propylbutanediamide
IUPAC Name (2S,3R)-N'-[(3S)-1-[[3-(3-methoxyanilino)phenyl]methyl]-2-oxoazepan-3-yl]-3-(2-methylpropyl)-2-propylbutanediamide
Synonyms
InChi InChI=1S/C31H44N4O4/c1-5-10-26(29(32)36)27(17-21(2)3)30(37)34-28-15-6-7-16-35(31(28)38)20-22-11-8-12-23(18-22)33-24-13-9-14-25(19-24)39-4/h8-9,11-14,18-19,21,26-28,33H,5-7,10,15-17,20H2,1-4H3,(H2,32,36)(H,34,37)/t26-,27+,28-/m0/s1
InChiKey GIVJUCUMMPCAOP-IARZGTGTSA-N
Formula C31H44N4O4 Molecular Weight 536.71
Cross Link CHEMBL410532
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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