CFam Chemical Families Database
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You are searching for "CFAMM00387084" in compound.

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CFAM Mol ID CFAMM00387084
Family CFFBM8318 Protein FimH and Type 1 fimbiral adhesin FimH inhibitor methyl 4-[3-chloro-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoate family
Superfamily CFSID2407 Epidermal growth factor receptor Ligand 3-(3-chloro-phenyl)-5,7-dihydroxy-chromen-4-one Superfamily
Class CFCID1436 Class 2786
External ID CHEMBL1802190 External Source CHEMBL
PubChem CID 49856161 Functional Category Bioactive
Molecule Name methyl 4-[3,5-dichloro-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoate
IUPAC Name methyl 4-[3,5-dichloro-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoate
Synonyms SureCN2034921
InChi InChI=1S/C20H20Cl2O8/c1-28-19(27)10-4-2-9(3-5-10)11-6-12(21)18(13(22)7-11)30-20-17(26)16(25)15(24)14(8-23)29-20/h2-7,14-17,20,23-26H,8H2,1H3/t14-,15-,16+,17+,20-/m1/s1
InChiKey LGMPJLJIHTWSMR-GFAJBQDWSA-N
Formula C20H20Cl2O8 Molecular Weight 459.27
Cross Link CHEMBL1802190
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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