YM976   Click here for help

GtoPdb Ligand ID: 5292

Synonyms: YM 976 | YM-976
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 47.78
Molecular weight 313.1
XLogP 4.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCc1ccc2c(n1)n(CC)c(=O)nc2c1cccc(c1)Cl
Isomeric SMILES CCc1ccc2c(n1)n(CC)c(=O)nc2c1cccc(c1)Cl
InChI InChI=1S/C17H16ClN3O/c1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13/h5-10H,3-4H2,1-2H3
InChI Key MNHXYNNKDDXKNP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(3-chlorophenyl)-1,7-diethyl-1H,2H-pyrido[2,3-d]pyrimidin-2-one
Synonyms Click here for help
YM 976 | YM-976
Database Links Click here for help
CAS Registry No. 191219-80-4
ChEMBL Ligand CHEMBL1358525
GtoPdb PubChem SID 178101975
PubChem CID 6604918
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Wikipedia YM-976

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Tocris
YM 976
Cat. No. 1821