CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00407478" in compound.

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CFAM Mol ID CFAMM00407478
Family CFFBM11194 Adenosine receptor A1 and Adenosine receptor A2a ligand (1S,3S,4R)-N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]bicyclo[2.2.1]heptane-3-carboxamide family
Superfamily CFSBM5406 Adenosine receptor A2a and Adenosine receptor A2b Binder Superfamily
Class CFCAD172 Class 172
External ID CHEMBL608223 External Source CHEMBL
PubChem CID 46876989 Functional Category Bioactive
Molecule Name 5-[[9-[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]purin-6-yl]amino]bicyclo[2.2.1]heptan-3-one
IUPAC Name 5-[[9-[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]purin-6-yl]amino]bicyclo[2.2.1]heptan-3-one
InChi InChI=1S/C18H23N5O5/c24-5-13-16(27)15(26)12(28-13)4-23-7-21-14-17(19-6-20-18(14)23)22-10-2-8-1-9(10)11(25)3-8/h6-10,12-13,15-16,24,26-27H,1-5H2,(H,19,20,22)/t8?,9?,10?,12?,13-,15+,16-/m1/s1
Formula C18H23N5O5 Molecular Weight 389.41
Cross Link CHEMBL608223

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).

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National University of Singapore, Singapore

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