CFam Chemical Families Database
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You are searching for "CFAMM00441125" in compound.

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CFAM Mol ID CFAMM00441125
Family CFFBM17213 Neutrophil elastase inhibitor 1-[(2S)-3-methyl-2-[(4-methylsulfonylbenzoyl)amino]butanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide family
Superfamily CFSCD258 C-C chemokine receptor type 5 Ligand AZD5672 Superfamily
Class CFCCD92 Class 905
External ID CHEMBL55161 External Source CHEMBL
PubChem CID 44298945 Functional Category Bioactive
Molecule Name 1-[(2S)-3-methyl-2-[(4-methylsulfanylbenzoyl)amino]butanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
IUPAC Name 1-[(2S)-3-methyl-2-[(4-methylsulfanylbenzoyl)amino]butanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
Synonyms CHEBI:185827
InChi InChI=1S/C24H32F3N3O4S/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17?,18?,19-/m0/s1
InChiKey VSPDMNZQRRTGKJ-ACBHZAAOSA-N
Formula C24H32F3N3O4S Molecular Weight 515.59
Cross Link CHEMBL55161
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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