General Information of the Compound
Compound ID
CP0412368
Compound Name
3-methyl-1-(oxan-4-yl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
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Structure
Formula
C21H20N4O2
Molecular Weight
360.417
Canonical SMILES
Cn1c2cnc3ccc(cc3c2n(C2CCOCC2)c1=O)-c1cccnc1
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InChI
InChI=1S/C21H20N4O2/c1-24-19-13-23-18-5-4-14(15-3-2-8-22-12-15)11-17(18)20(19)25(21(24)26)16-6-9-27-10-7-16/h2-5,8,11-13,16H,6-7,9-10H2,1H3
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InChIKey
QPTLAOOZWOLYLB-UHFFFAOYSA-N
Physicochemical Property
logP
3.3017
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
61.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
27

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 134163712
ChEMBL ID
CHEMBL4169828
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01902, Serine-protein kinase ATM
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  1
1
IC50 = 360 nM
   TI
   LI
   LO
   TS
Protein ID: PT01934, Serine/threonine-protein kinase ATR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  1
1
IC50 = 87 nM
   TI
   LI
   LO
   TS