General Information of the Compound
Compound ID
CP0166514
Compound Name
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-morpholinophenyl)pyridin-2(1H)-one
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Structure
Formula
C24H23N5O2
Molecular Weight
413.481
Canonical SMILES
Cc1ccn(-c2ccc(cc2)N2CCOCC2)c(=O)c1-c1ccc2nc(N)ncc2c1
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InChI
InChI=1S/C24H23N5O2/c1-16-8-9-29(20-5-3-19(4-6-20)28-10-12-31-13-11-28)23(30)22(16)17-2-7-21-18(14-17)15-26-24(25)27-21/h2-9,14-15H,10-13H2,1H3,(H2,25,26,27)
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InChIKey
BTNNMUUCTVIEEE-UHFFFAOYSA-N
Physicochemical Property
logP
3.17492
Rotatable Bonds
3
Heavy Atom Count
31
Polar Areas
86.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
31

"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: 24879367
SID: 50134765
ChEMBL ID
CHEMBL525744
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: PT00888, Mast/stem cell growth factor receptor Kit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000138 M-07e Homo sapiens (Human)  1
1
IC50 = 72 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13 nM