PD-173955   

GtoPdb Ligand ID: 5699

Synonyms: PD 173955 | PD-0173955
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 85.11
Molecular weight 442.04
XLogP 6.66
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CSc1cccc(c1)Nc1ncc2c(n1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl
Isomeric SMILES CSc1cccc(c1)Nc1ncc2c(n1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl
InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
InChI Key VAARYSWULJUGST-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
Synonyms
PD 173955 | PD-0173955
Database Links
CAS Registry No. 260415-63-2
ChEMBL Ligand CHEMBL386051
DrugBank Ligand DB02567
GtoPdb PubChem SID 178102326
PubChem CID 447077
RCSB PDB Ligand P17
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