CFam Chemical Families Database
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You are searching for "CFAMM00313315" in compound.

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CFAM Mol ID CFAMM00313315
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 CHEMBL383551 External Source CHEMBL
PubChem CID 10393262 Functional Category Bioactive
Molecule Name tert-butyl 2-[4-[[(2S)-2-[[1-(3-phenylanilino)cyclohexanecarbonyl]amino]butyl]amino]phenoxy]acetate
IUPAC Name tert-butyl 2-[4-[[(2S)-2-[[1-(3-phenylanilino)cyclohexanecarbonyl]amino]butyl]amino]phenoxy]acetate
Synonyms CHEBI:441637
InChi InChI=1S/C35H45N3O4/c1-5-28(24-36-29-17-19-31(20-18-29)41-25-32(39)42-34(2,3)4)37-33(40)35(21-10-7-11-22-35)38-30-16-12-15-27(23-30)26-13-8-6-9-14-26/h6,8-9,12-20,23,28,36,38H,5,7,10-11,21-22,24-25H2,1-4H3,(H,37,40)/t28-/m0/s1
InChiKey LQAXLONNTRHUGX-NDEPHWFRSA-N
Formula C35H45N3O4 Molecular Weight 571.75
Cross Link CHEMBL383551
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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