General Information of the Compound
Compound ID
CP0152286
Compound Name
7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline
    Show/Hide
Structure
Formula
C23H27N3O2
Molecular Weight
377.488
Canonical SMILES
CCCOc1cc2c(ncnc2cc1OC)N1CCCC(C1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C23H27N3O2/c1-3-12-28-22-13-19-20(14-21(22)27-2)24-16-25-23(19)26-11-7-10-18(15-26)17-8-5-4-6-9-17/h4-6,8-9,13-14,16,18H,3,7,10-12,15H2,1-2H3
    Show/Hide
InChIKey
ADRRQOWUXMNGNP-UHFFFAOYSA-N
Physicochemical Property
logP
4.8112
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
47.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11545321
SID: 16647509
ChEMBL ID
CHEMBL1819122
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 = 1040 nM
   TI
   LI
   LO
   TS