General Information of the Compound
Compound ID
CP0567580
Compound Name
2,2-dimethyl-1-(2-methylpropyl)-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-3H-quinazolin-4-one
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Structure
Formula
C20H23N5O2
Molecular Weight
365.437
Canonical SMILES
CC(C)CN1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O
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InChI
InChI=1S/C20H23N5O2/c1-12(2)11-24-16-10-13(7-8-14(16)18(26)23-20(24,3)4)25-15-6-5-9-21-17(15)22-19(25)27/h5-10,12H,11H2,1-4H3,(H,23,26)(H,21,22,27)
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InChIKey
FTRBZYYFOYQTAW-UHFFFAOYSA-N
Physicochemical Property
logP
2.6557
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
83.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 127047265
ChEMBL ID
CHEMBL3799399
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: PT01127, Protein kinase C theta type
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS