CFam Chemical Families Database
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You are searching for "CFAMM00218346" in compound.

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CFAM Mol ID CFAMM00218346
Family CFFID759 Proto-oncogene tyrosine-protein kinase Src Inhibitor Malonic Acid Family
Superfamily CFSID621 Prostaglandin G/H synthase 2 and Prostaglandin G/H synthase 1 Binder Superfamily 3
Class CFCAD426 Class 426
External ID DNC002759 External Source TTD
PubChem CID 100478 Functional Category Investigative Drug
Molecule Name Malonic acid
IUPAC Name dimethyl 2-[(4-methoxyphenyl)methylidene]propanedioate
Synonyms Dimethyl (p-methoxybenzylidene)malonate;CHEMBL2148174;7443-25-6;Propanedioic acid, ((4-methoxyphenyl)methylene)-, dimethyl ester;Propanedioic acid, [(4-methoxyphenyl)methylene]-, dimethyl ester;Propanedioic acid, 2-((4-methoxyphenyl)methylene)-, 1,3-dimethyl ester;Propanedioic acid, 2-[(4-methoxyphenyl)methylene]-, 1,3-dimethyl ester;SureCN77601;AC1L2OU4;MolPort-006-118-731
InChi InChI=1S/C13H14O5/c1-16-10-6-4-9(5-7-10)8-11(12(14)17-2)13(15)18-3/h4-8H,1-3H3
InChiKey JMFYZMAVUHNCPW-UHFFFAOYSA-N
Formula C13H14O5 Molecular Weight 250.25
Cross Link CHEMBL2148174
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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