CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00427502" in compound.

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CFAM Mol ID CFAMM00427502
Family CFFBM14286 Adenosine receptor A1 and Adenosine receptor A2a ligand 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylpyrimidine-5-carbonitrile family
Superfamily CFSBM4061 Adenosine receptor A1 and Adenosine receptor A3 Binder Superfamily 7
Class CFCAD377 Class 377
External ID CHEMBL386316 External Source CHEMBL
PubChem CID 23646788 Functional Category Bioactive
Molecule Name alkynylpyrimidine 5
IUPAC Name 5-(1,3-benzodioxol-5-yl)-6-[2-[4-(dimethylamino)phenyl]ethynyl]pyrimidin-4-amine
Synonyms AGN-PC-046QQV;5-(1,3-benzodioxol-5-yl)-6-[2-[4-(dimethylamino)phenyl]ethynyl]pyrimidin-4-amine
InChi InChI=1S/C21H18N4O2/c1-25(2)16-7-3-14(4-8-16)5-9-17-20(21(22)24-12-23-17)15-6-10-18-19(11-15)27-13-26-18/h3-4,6-8,10-12H,13H2,1-2H3,(H2,22,23,24)
Formula C21H18N4O2 Molecular Weight 358.39
Cross Link CHEMBL386316

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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