CFam Chemical Families Database
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You are searching for "CFAMM00414169" in compound.

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CFAM Mol ID CFAMM00414169
Family CFFBM12159 Adenosine receptor A2a and Adenosine receptor A1 ligand 5-[(7S,9aS)-7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine family
Superfamily CFSCD306 Metabotropic glutamate receptor 1 Ligand PF-1913539 Superfamily
Class CFCCD225 Class 1038
External ID CHEMBL223976 External Source CHEMBL
PubChem CID 44421278 Functional Category Bioactive
Molecule Name methyl 5-[(7S,9aR)-7-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-amino-6-chloropyrazine-2-carboxylate
IUPAC Name methyl 5-[(7S,9aR)-7-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-amino-6-chloropyrazine-2-carboxylate
Synonyms CHEBI:473134
InChi InChI=1S/C23H27ClN12O3/c1-38-20(37)15-17(25)29-19(16(24)28-15)35-7-6-34-10-12(4-5-13(34)11-35)9-27-22-31-21(26)36-23(32-22)30-18(33-36)14-3-2-8-39-14/h2-3,8,12-13H,4-7,9-11H2,1H3,(H2,25,29)(H3,26,27,30,31,32,33)/t12-,13+/m0/s1
Formula C23H27ClN12O3 Molecular Weight 554.99
Cross Link CHEMBL223976

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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