CFam Chemical Families Database
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You are searching for "CFAMM00507404" 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 CFAMM00507404
Family CFFBM36383 DNA-(apurinic or apyrimidinic site) lyase and Inositol monophosphatase 1 inhibitor CHEMBL1431585 family
Superfamily CFSCD158 Arachidonate 5-lipoxygenase Inhibitor Linazolast Superfamily
Class CFCAD719 Class 719
External ID ZINC20502623 External Source ZINC
PubChem CID 28990224 Functional Category Natural Product
Molecule Name AGN-PC-05FUEN
IUPAC Name 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethylchromen-2-one
Synonyms ZINC20502623;4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethylchromen-2-one
InChi InChI=1S/C24H26N2O4/c1-16-9-20-19(12-24(27)30-22(20)10-17(16)2)14-26-7-5-25(6-8-26)13-18-3-4-21-23(11-18)29-15-28-21/h3-4,9-12H,5-8,13-15H2,1-2H3/p+1
InChiKey RGTYKKFCNWJASV-UHFFFAOYSA-O
Formula C24H27N2O4+ Molecular Weight 407.48
Cross Link
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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