General Information of the Compound
Compound ID
CP0572487
Compound Name
4-methyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)quinazoline
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Structure
Formula
C21H15N5
Molecular Weight
337.386
Canonical SMILES
Cc1nc(nc2ccccc12)-c1ccn2cc(nc2n1)-c1ccccc1
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InChI
InChI=1S/C21H15N5/c1-14-16-9-5-6-10-17(16)23-20(22-14)18-11-12-26-13-19(25-21(26)24-18)15-7-3-2-4-8-15/h2-13H,1H3
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InChIKey
VAGWZOIYQUXWLS-UHFFFAOYSA-N
Physicochemical Property
logP
4.31492
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
55.97
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 145954872
ChEMBL ID
CHEMBL4169681
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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 163 nM
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