CFam Chemical Families Database
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You are searching for "CFAMM00397911" in compound.

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CFAM Mol ID CFAMM00397911
Family CFFBM9765 Cathepsin K and Cathepsin L1 inhibitor 4-ethyl-N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-4-methyl-1-oxopentan-2-yl]benzamide family
Superfamily CFSBM347 Cathepsin K and Cathepsin L1 Binder Superfamily 2
Class CFCID1067 Class 2417
External ID CHEMBL398935 External Source CHEMBL
PubChem CID 24875200 Functional Category Bioactive
Molecule Name N-[(2R)-1-oxo-1-[[(3R)-2-oxo-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-[2-(trifluoromethoxy)phenyl]propan-2-yl]-2-(trifluoromethyl)benzamide
IUPAC Name N-[(2R)-1-oxo-1-[[(3R)-2-oxo-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-[2-(trifluoromethoxy)phenyl]propan-2-yl]-2-(trifluoromethyl)benzamide
Synonyms CHEBI:517083
InChi InChI=1S/C31H29F6N3O4/c1-18(2)40-25-13-7-3-9-19(25)15-16-23(29(40)43)38-28(42)24(17-20-10-4-8-14-26(20)44-31(35,36)37)39-27(41)21-11-5-6-12-22(21)30(32,33)34/h3-14,18,23-24H,15-17H2,1-2H3,(H,38,42)(H,39,41)/t23-,24-/m1/s1
InChiKey SNHBFCXHTUNEJO-DNQXCXABSA-N
Formula C31H29F6N3O4 Molecular Weight 621.57
Cross Link CHEMBL398935
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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