CFam Chemical Families Database
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You are searching for "CFAMM00424458" 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 CFAMM00424458
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 CHEMBL246470 External Source CHEMBL
PubChem CID 9821924 Functional Category Bioactive
Molecule Name SureCN3054648
IUPAC Name 8-[(6-methoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Synonyms CHEBI:508328
InChi InChI=1S/C21H23N5O3/c1-12(2)11-26-19-18(20(27)25(3)21(26)28)23-17(24-19)7-14-10-22-9-13-5-6-15(29-4)8-16(13)14/h5-6,8-10,12H,7,11H2,1-4H3,(H,23,24)
InChiKey NMTKJEZOWHRAQY-UHFFFAOYSA-N
Formula C21H23N5O3 Molecular Weight 393.44
Cross Link CHEMBL246470
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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