CFam Chemical Families Database
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You are searching for "CFAMM00450831" 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 CFAMM00450831
Family CFFBM19161 Adenosine receptor A2a and Adenosine receptor A2b ligand (3R,4S,5R)-2-[6-amino-2-[(2E)-2-(cyclohexylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol family
Superfamily CFSBM5406 Adenosine receptor A2a and Adenosine receptor A2b Binder Superfamily
Class CFCAD172 Class 172
External ID CHEMBL102116 External Source CHEMBL
PubChem CID 6439470 Functional Category Bioactive
Molecule Name AC1O5RQH
IUPAC Name (2R,3R,4S,5R)-2-[6-amino-2-[(2Z)-2-(cyclohexylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms SureCN940135;CHEBI:262412;(2R,3R,4S,5R)-2-[6-amino-2-[(2Z)-2-(cyclohexylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChi InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6-/t10-,12-,13-,16-/m1/s1
InChiKey XJFMHMFFBSOEPR-PNHMZMSVSA-N
Formula C17H25N7O4 Molecular Weight 391.42
Cross Link CHEMBL102116
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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