CFam Chemical Families Database
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You are searching for "CFAMM00438392" in compound.

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CFAM Mol ID CFAMM00438392
Family CFFBM16499 Cathepsin S and Cathepsin L1 inhibitor (2S)-2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]propanamide family
Superfamily CFSBM276 Integrin alpha-4 and Cathepsin S Binder Superfamily
Class CFCAD678 Class 678
External ID CHEMBL407941 External Source CHEMBL
PubChem CID 11456165 Functional Category Bioactive
Molecule Name SureCN5357612
IUPAC Name tert-butyl (3S)-3-[[(2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-3-cyclohexylpropanoyl]amino]-4-(5-fluoro-2,3-dihydroindol-1-yl)butanoate
Synonyms Heterocyclic arylaminoethyl amide, 13i
InChi InChI=1S/C32H40ClFN4O4/c1-32(2,3)42-29(39)18-24(19-38-14-13-21-16-23(34)10-12-27(21)38)35-30(40)26(15-20-7-5-4-6-8-20)37-31-36-25-11-9-22(33)17-28(25)41-31/h9-12,16-17,20,24,26H,4-8,13-15,18-19H2,1-3H3,(H,35,40)(H,36,37)/t24-,26-/m0/s1
InChiKey UFUIWSCEKYYNSU-AHWVRZQESA-N
Formula C32H40ClFN4O4 Molecular Weight 599.14
Cross Link CHEMBL407941
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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