CFam Chemical Families Database
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You are searching for "CFAMM00313510" in compound.

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CFAM Mol ID CFAMM00313510
Family CFFBM591 Hydroxycarboxylic acid receptor 2 ligand 2-[3-[(3Z)-3-(5-oxopyridin-2-ylidene)-1,2,4-oxadiazol-5-yl]propanoylamino]-5-propylcyclohexene-1-carboxylic acid family
Superfamily CFSBM337 Hydroxycarboxylic acid receptor 2 Binder Superfamily 2
Class CFCCD415 Class 1228
External ID CHEMBL1770178 External Source CHEMBL
PubChem CID 54582731 Functional Category Bioactive
Molecule Name 2-[[(3S)-3-amino-3-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propanoyl]amino]benzoic acid
IUPAC Name 2-[[(3S)-3-amino-3-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propanoyl]amino]benzoic acid
Synonyms CHEBI:1242476
InChi InChI=1S/C18H16N4O5/c19-13(9-15(24)20-14-4-2-1-3-12(14)18(25)26)17-21-16(22-27-17)10-5-7-11(23)8-6-10/h1-8,13,23H,9,19H2,(H,20,24)(H,25,26)/t13-/m0/s1
InChiKey AXWCJXNCHIYWDN-ZDUSSCGKSA-N
Formula C18H16N4O5 Molecular Weight 368.34
Cross Link CHEMBL1770178
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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