CFam Chemical Families Database
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You are searching for "CFAMM00219861" 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 CFAMM00219861
Family CFFID854 Cathepsin F and Cruzipain Inhibitor Benzoyl-arginine-alanine-methyl Ketone Family
Superfamily CFSID698 Cruzipain and Cathepsin S Binder Superfamily
Class CFCCD382 Class 1195
External ID CHEMBL182775 External Source CHEMBL
PubChem CID 44394353 Functional Category Bioactive
Molecule Name (2,2-dimethyl-3-phenylpropyl) N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
IUPAC Name (2,2-dimethyl-3-phenylpropyl) N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
Synonyms CHEBI:408911
InChi InChI=1S/C27H36N2O4/c1-5-6-17-23(24(30)25(31)28-20(2)22-15-11-8-12-16-22)29-26(32)33-19-27(3,4)18-21-13-9-7-10-14-21/h7-16,20,23H,5-6,17-19H2,1-4H3,(H,28,31)(H,29,32)/t20-,23+/m1/s1
InChiKey NMXQSPUYSZKXOQ-OFNKIYASSA-N
Formula C27H36N2O4 Molecular Weight 452.59
Cross Link CHEMBL182775
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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