CFam Chemical Families Database
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You are searching for "CFAMM00141939" in compound.

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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 CFAMM00141939
Family CFFCD191 DNA topoisomerase 2-beta Inhibitor TOP-53 Family
Superfamily CFSCD174 DNA topoisomerase 2-beta Binder Superfamily 2
Class CFCAD746 Class 746
External ID 19983265 External Source PubChem
PubChem CID 19983265 Functional Category Patent Compound
Molecule Name AGN-PC-02Q5NB
IUPAC Name 5-[3,4-di(propan-2-yloxy)phenyl]-8-hydroxy-7-(hydroxymethyl)benzo[f][1,3]benzodioxole-6-carboxylic acid
Synonyms 5-[3,4-di(propan-2-yloxy)phenyl]-8-hydroxy-7-(hydroxymethyl)benzo[f][1,3]benzodioxole-6-carboxylic acid
InChi InChI=1S/C25H26O8/c1-12(2)32-18-6-5-14(7-21(18)33-13(3)4)22-15-8-19-20(31-11-30-19)9-16(15)24(27)17(10-26)23(22)25(28)29/h5-9,12-13,26-27H,10-11H2,1-4H3,(H,28,29)
InChiKey JPVQZVLEEQQCRB-UHFFFAOYSA-N
Formula C25H26O8 Molecular Weight 454.47
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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