CFam Chemical Families Database
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You are searching for "CFAMM00438929" in compound.

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CFAM Mol ID CFAMM00438929
Family CFFBM16634 Adenosine receptor A1 and Adenosine receptor A3 ligand ethyl 4-[[[1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[[(2R)-oxolan-2-yl]amino]purin-2-yl]pyrazole-4-carbonyl]amino]methyl]benzoate family
Superfamily CFSID1282 Adenosine receptor A1 and Adenosine receptor A2a Binder Superfamily 4
Class CFCAD652 Class 652
External ID CHEMBL393496 External Source CHEMBL
PubChem CID 44430173 Functional Category Bioactive
Molecule Name 4-[[[1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[[(2R)-oxolan-2-yl]amino]purin-2-yl]pyrazole-4-carbonyl]amino]methyl]benzoic acid
IUPAC Name 4-[[[1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[[(2R)-oxolan-2-yl]amino]purin-2-yl]pyrazole-4-carbonyl]amino]methyl]benzoic acid
Synonyms CHEBI:493721
InChi InChI=1S/C26H28N8O8/c35-11-16-19(36)20(37)24(42-16)33-12-28-18-21(30-17-2-1-7-41-17)31-26(32-22(18)33)34-10-15(9-29-34)23(38)27-8-13-3-5-14(6-4-13)25(39)40/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,39,40)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1
Formula C26H28N8O8 Molecular Weight 580.55
Cross Link CHEMBL393496

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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