CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00521630" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00521630
Family CFFBM43388 Reverse transcriptase/RNaseH inhibitor AC1O5CPP family
Superfamily CFSBM12185 Beta-lactamase and Reverse transcriptase/RNaseH Binder Superfamily 2
Class CFCAD442 Class 442
External ID CHEMBL198050 External Source CHEMBL
PubChem CID 6482042 Functional Category Bioactive
Molecule Name AC1O5CPP
IUPAC Name methyl 5-[(E)-1-(3-cyanophenyl)-6-methoxy-6-oxohex-1-enyl]-2-methoxy-3-methylbenzoate
Synonyms CHEBI:429220;methyl 5-[(E)-1-(3-cyanophenyl)-6-methoxy-6-oxohex-1-enyl]-2-methoxy-3-methylbenzoate;Benzoic acid, 5-[(1E)-1-(3-cyanophenyl)-6-methoxy-6-oxo-1-hexenyl]-2-methoxy-3-methyl-, methyl ester
InChi InChI=1S/C24H25NO5/c1-16-12-19(14-21(23(16)29-3)24(27)30-4)20(10-5-6-11-22(26)28-2)18-9-7-8-17(13-18)15-25/h7-10,12-14H,5-6,11H2,1-4H3/b20-10+
InChiKey JZDMMDXEJWYZDI-KEBDBYFISA-N
Formula C24H25NO5 Molecular Weight 407.46
Cross Link CHEMBL198050
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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