CFam Chemical Families Database
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You are searching for "CFAMM00356394" in compound.

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CFAM Mol ID CFAMM00356394
Family CFFBM4472 Adenosine kinase inhibitor N-cyclopropyl-2-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl]amino]acetamide family
Superfamily CFSID1282 Adenosine receptor A1 and Adenosine receptor A2a Binder Superfamily 4
Class CFCAD652 Class 652
External ID CHEMBL141327 External Source CHEMBL
PubChem CID 11144253 Functional Category Bioactive
Molecule Name SureCN8328727
IUPAC Name (2R,3R,4S,5S)-2-(4-anilino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms CHEBI:338188
InChi InChI=1S/C22H21N5O4/c28-11-15-18(29)19(30)22(31-15)27-21-16(17(26-27)13-7-3-1-4-8-13)20(23-12-24-21)25-14-9-5-2-6-10-14/h1-10,12,15,18-19,22,28-30H,11H2,(H,23,24,25)/t15-,18+,19+,22+/m0/s1
InChiKey BBPPPQFKQHQFSL-DJZBOODTSA-N
Formula C22H21N5O4 Molecular Weight 419.43
Cross Link CHEMBL141327
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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