CFam Chemical Families Database
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You are searching for "CFAMM00395177" in compound.

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CFAM Mol ID CFAMM00395177
Family CFFBM9414 Integrase inhibitor (Z)-4-(3-benzylphenyl)-4-hydroxy-2-oxobut-3-enoic acid family
Superfamily CFSID377 Dihydroorotate dehydrogenase Inhibitor Polyporic Acid Superfamily
Class CFCID264 Class 1614
External ID CHEMBL86133 External Source CHEMBL
PubChem CID 5742706 Functional Category Bioactive
Molecule Name AC1NX3S3
IUPAC Name (Z)-4-[3-[[3-[(Z)-3-carboxy-1-hydroxy-3-oxoprop-1-enyl]phenyl]-(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoic acid
Synonyms CHEBI:238535;(Z)-4-[3-[[3-[(Z)-1,4-dihydroxy-3,4-dioxobut-1-enyl]phenyl]-(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoic acid;(Z)-4-{3-[1-[3-((Z)-3-Carboxy-3-hydroxy-allanoyl)-phenyl]-1-(2-fluoro-phenyl)-methyl]-phenyl}-2-hydroxy-4-oxo-but-2-enoic acid
InChi InChI=1S/C27H19FO8/c28-20-10-2-1-9-19(20)25(17-7-3-5-15(11-17)21(29)13-23(31)26(33)34)18-8-4-6-16(12-18)22(30)14-24(32)27(35)36/h1-14,25,29-30H,(H,33,34)(H,35,36)/b21-13-,22-14-
InChiKey YFPIHZSEVHPBGW-JZTLMNBPSA-N
Formula C27H19FO8 Molecular Weight 490.43
Cross Link CHEMBL86133
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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