CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00250173" 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 CFAMM00250173
Family CFFID1771 Cathepsin B and Cathepsin K Inhibitor L-006235-1 Family
Superfamily CFSID1362 Cathepsin B and Cathepsin K Inhibitor L-006235-1 Superfamily
Class CFCAD804 Class 804
External ID CHEMBL212879 External Source CHEMBL
PubChem CID 44414978 Functional Category Bioactive
Molecule Name (2R)-2-[3-[3-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]phenyl]-N-(cyanomethyl)-4-methylpentanamide
IUPAC Name (2R)-2-[3-[3-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]phenyl]-N-(cyanomethyl)-4-methylpentanamide
Synonyms CHEBI:455844
InChi InChI=1S/C31H39N5OS/c1-22(2)18-27(29(37)33-13-12-32)25-10-6-8-23(19-25)24-9-7-11-26(20-24)28-21-38-30(34-28)35-14-16-36(17-15-35)31(3,4)5/h6-11,19-22,27H,13-18H2,1-5H3,(H,33,37)/t27-/m1/s1
InChiKey NSIRSTDMOKGKBU-HHHXNRCGSA-N
Formula C31H39N5OS Molecular Weight 529.74
Cross Link CHEMBL212879
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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