CP466722   Click here for help

GtoPdb Ligand ID: 9359

Synonyms: CP-466722
Compound class: Synthetic organic
Comment: CP466722 is a selective and reversible small molecule tool compound inhibitor of ATM serine/threonine kinase [1]. ATM is a PI3K family kinase, implicated in the DNA damage response (DDR) pathway.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 113.34
Molecular weight 349.13
XLogP 1.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2c(cc1OC)ncnc2n1nc(nc1N)c1ccccn1
Isomeric SMILES COc1cc2c(cc1OC)ncnc2n1nc(nc1N)c1ccccn1
InChI InChI=1S/C17H15N7O2/c1-25-13-7-10-12(8-14(13)26-2)20-9-21-16(10)24-17(18)22-15(23-24)11-5-3-4-6-19-11/h3-9H,1-2H3,(H2,18,22,23)
InChI Key ILBRKJBKDGCSCB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(6,7-dimethoxyquinazolin-4-yl)-5-pyridin-2-yl-1,2,4-triazol-3-amine
Synonyms Click here for help
CP-466722
Database Links Click here for help
CAS Registry No. 1080622-86-1 (source: PubChem)
ChEMBL Ligand CHEMBL2143829
GtoPdb PubChem SID 328083461
PubChem CID 44551660
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