CFam Chemical Families Database
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You are searching for "CFAMM00389936" in compound.

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CFAM Mol ID CFAMM00389936
Family CFFBM8703 Kappa-type opioid receptor ligand N-methyl-N-[(1S)-2-pyrrolidin-1-yl-1-[3-(sulfamoylamino)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide family
Superfamily CFSCD232 Motilin receptor Ligand GSK962040 Superfamily
Class CFCAD252 Class 252
External ID CHEMBL206172 External Source CHEMBL
PubChem CID 49797126 Functional Category Bioactive
Molecule Name 5-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]phenyl]-1-(4-fluorophenyl)pyridin-2-one;2,2,2-trifluoroacetic acid
IUPAC Name 5-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]phenyl]-1-(4-fluorophenyl)pyridin-2-one;2,2,2-trifluoroacetic acid
Synonyms
InChi InChI=1S/C25H25F2N3O2.C2HF3O2/c1-16(24(28)25(32)29-13-12-21(27)15-29)17-2-4-18(5-3-17)19-6-11-23(31)30(14-19)22-9-7-20(26)8-10-22;3-2(4,5)1(6)7/h2-11,14,16,21,24H,12-13,15,28H2,1H3;(H,6,7)/t16-,21-,24-;/m0./s1
InChiKey JNYTZYMYWLIIEV-KCYRRHQLSA-N
Formula C27H26F5N3O4 Molecular Weight 551.51
Cross Link CHEMBL206172
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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