CFam Chemical Families Database
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You are searching for "CFAMM00438412" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00438412
Family CFFBM16504 Cathepsin S and Cathepsin L1 inhibitor SureCN5361439 family
Superfamily CFSBM276 Integrin alpha-4 and Cathepsin S Binder Superfamily
Class CFCAD678 Class 678
External ID CHEMBL204791 External Source CHEMBL
PubChem CID 11178623 Functional Category Bioactive
Molecule Name SureCN5356839
IUPAC Name (2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyclohexyl-N-[2-(4-fluoroanilino)ethyl]propanamide
Synonyms Heterocyclic arylaminoethyl amide, 7f
InChi InChI=1S/C24H28ClFN4O2/c25-19-7-4-8-20-22(19)32-24(29-20)30-21(15-16-5-2-1-3-6-16)23(31)28-14-13-27-18-11-9-17(26)10-12-18/h4,7-12,16,21,27H,1-3,5-6,13-15H2,(H,28,31)(H,29,30)/t21-/m0/s1
InChiKey QGJDTIUIQQOWOY-NRFANRHFSA-N
Formula C24H28ClFN4O2 Molecular Weight 458.96
Cross Link CHEMBL204791
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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