General Information of the Compound
Compound ID
CP0352707
Compound Name
6,7-dimethoxy-4-(3-phenylpiperidin-1-yl)quinazoline
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Structure
Formula
C21H23N3O2
Molecular Weight
349.434
Canonical SMILES
COc1cc2ncnc(N3CCCC(C3)c3ccccc3)c2cc1OC
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InChI
InChI=1S/C21H23N3O2/c1-25-19-11-17-18(12-20(19)26-2)22-14-23-21(17)24-10-6-9-16(13-24)15-7-4-3-5-8-15/h3-5,7-8,11-12,14,16H,6,9-10,13H2,1-2H3
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InChIKey
QQBQKXDOFNGQJS-UHFFFAOYSA-N
Physicochemical Property
logP
4.031
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
47.48
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: 11559345
SID: 16661601
ChEMBL ID
CHEMBL1819121
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: PT02512, 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 = 146 nM
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