CFam Chemical Families Database
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You are searching for "CFAMM00250192" in compound.

Total 1 results found.

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 CFAMM00250192
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 CHEMBL493233 External Source CHEMBL
PubChem CID 22496395 Functional Category Bioactive
Molecule Name aminothiazole, 14
IUPAC Name 3-[[4-[(4-tert-butyl-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]anilino)methyl]benzoyl]amino]propanoic acid
Synonyms AGN-PC-03S5DV;SureCN2655033;3-[[4-[(4-tert-butyl-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]anilino)methyl]benzoyl]amino]propanoic acid
InChi InChI=1S/C34H39N3O3S/c1-33(2,3)26-13-11-24(12-14-26)29-22-41-32(36-29)37(28-17-15-27(16-18-28)34(4,5)6)21-23-7-9-25(10-8-23)31(40)35-20-19-30(38)39/h7-18,22H,19-21H2,1-6H3,(H,35,40)(H,38,39)
InChiKey XKENBIHIHWFSFY-UHFFFAOYSA-N
Formula C34H39N3O3S Molecular Weight 569.76
Cross Link CHEMBL493233
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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