CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00220182" 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 CFAMM00220182
Family CFFID856 Cruzipain Inhibitor WRR-204 Family
Superfamily CFSID698 Cruzipain and Cathepsin S Binder Superfamily
Class CFCCD382 Class 1195
External ID 54027663 External Source PubChem
PubChem CID 54027663 Functional Category Patent Compound
Molecule Name SureCN7313576
IUPAC Name benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methylsulfanyl-3-oxo-1-thiophen-2-ylbutan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Synonyms
InChi InChI=1S/C23H30N2O4S2/c1-16(2)12-20(25-23(28)29-14-17-8-5-4-6-9-17)22(27)24-19(21(26)15-30-3)13-18-10-7-11-31-18/h4-11,16,19-20H,12-15H2,1-3H3,(H,24,27)(H,25,28)/t19-,20-/m0/s1
InChiKey LDIXJBWBGDFOLR-PMACEKPBSA-N
Formula C23H30N2O4S2 Molecular Weight 462.63
Cross Link
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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