CFam Chemical Families Database
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You are searching for "CFAMM00424462" in compound.

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CFAM Mol ID CFAMM00424462
Family CFFBM13821 cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione family
Superfamily CFSBM908 Insulin-like growth factor 1 receptor and Tyrosine-protein kinase JAK2 Binder Superfamily
Class CFCCD161 Class 974
External ID CHEMBL483065 External Source CHEMBL
PubChem CID 44186718 Functional Category Bioactive
Molecule Name 8-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]-1-ethyl-3,7-dihydropurine-2,6-dione
IUPAC Name 8-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]-1-ethyl-3,7-dihydropurine-2,6-dione
Synonyms CHEBI:600403
InChi InChI=1S/C25H26N6O6S/c1-2-31-24(32)21-23(28-25(31)33)27-22(26-21)17-4-6-18(7-5-17)38(34,35)30-11-9-29(10-12-30)14-16-3-8-19-20(13-16)37-15-36-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,26,27)(H,28,33)
InChiKey ODKIIRGGBWEQPE-UHFFFAOYSA-N
Formula C25H26N6O6S Molecular Weight 538.58
Cross Link CHEMBL483065
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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