CFam Chemical Families Database
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You are searching for "CFAMM00439100" in compound.

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CFAM Mol ID CFAMM00439100
Family CFFBM16696 Adenosine receptor A1 ligand (2,5-dioxopyrrolidin-1-yl) 2-[4-[[2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]acetate family
Superfamily CFSBM549 Adenosine receptor A1 and Adenosine receptor A3 Binder Superfamily
Class CFCCD476 Class 1289
External ID CHEMBL603923 External Source CHEMBL
PubChem CID 46874811 Functional Category Bioactive
Molecule Name (2,5-dioxopyrrolidin-1-yl) 2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetate
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetate
InChi InChI=1S/C22H22N6O8/c29-8-13-18(33)19(34)22(35-13)27-10-25-17-20(23-9-24-21(17)27)26-12-3-1-11(2-4-12)7-16(32)36-28-14(30)5-6-15(28)31/h1-4,9-10,13,18-19,22,29,33-34H,5-8H2,(H,23,24,26)/t13-,18-,19-,22?/m1/s1
Formula C22H22N6O8 Molecular Weight 498.45
Cross Link CHEMBL603923

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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