General Information of the Compound
Compound ID
CP0529130
Compound Name
9-Chloro-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
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Structure
Formula
C23H20ClN5
Molecular Weight
401.901
Canonical SMILES
Cc1cc2c3cc(Cl)ccc3nc(CCc3nc(cn3C)-c3ccccc3)n2n1
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InChI
InChI=1S/C23H20ClN5/c1-15-12-21-18-13-17(24)8-9-19(18)25-23(29(21)27-15)11-10-22-26-20(14-28(22)2)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3
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InChIKey
UALLOWFGWAQLRW-UHFFFAOYSA-N
Physicochemical Property
logP
5.03002
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
48.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 53323880
SID: 134420914
ChEMBL ID
CHEMBL1642581
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 = 16 nM
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