CFam Chemical Families Database
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You are searching for "CFAMM00307028" in compound.

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CFAM Mol ID CFAMM00307028
Family CFFBM93 Caspase-6 and Caspase-3 inhibitor (4S)-5-[[1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-naphthalen-1-yloxy-5-oxopentanoic acid family
Superfamily CFSID956 Plasmepsin-1 and Plasmepsin-2 Inhibitor PS-777621 Superfamily
Class CFCAD65 Class 65
External ID CHEMBL327298 External Source CHEMBL
PubChem CID 44331977 Functional Category Bioactive
Molecule Name 2-[2-[[1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
IUPAC Name 2-[2-[[1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
Synonyms CHEBI:265190
InChi InChI=1S/C22H24N2O8/c1-11(2)19(20(27)23-14-9-17(26)32-22(14)30)24-16(25)10-31-15-8-7-12-5-3-4-6-13(12)18(15)21(28)29/h3-8,11,14,19,22,30H,9-10H2,1-2H3,(H,23,27)(H,24,25)(H,28,29)/t14-,19?,22?/m0/s1
InChiKey ASGHIPSJIOETFI-YGXOJQJDSA-N
Formula C22H24N2O8 Molecular Weight 444.43
Cross Link CHEMBL327298
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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