General Information of the Compound
Compound ID
CP0915595
Compound Name
7-(3,4-dichlorophenyl)-6-(1,5-dimethyl-1H-benzo[d]imidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
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Structure
Formula
C22H19Cl2N5
Molecular Weight
424.335
Canonical SMILES
CC1=C(c2nc3cc(C)ccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
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InChI
InChI=1S/C22H19Cl2N5/c1-12-4-7-18-17(10-12)27-22(28(18)3)20-13(2)26-19-8-9-25-29(19)21(20)14-5-6-15(23)16(24)11-14/h4-11,21,26H,1-3H3
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InChIKey
FOBNCTRYUULKEU-UHFFFAOYSA-N
Physicochemical Property
logP
5.83112
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
47.67
Hydrogen Bond Donor Count
1
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: 136180763
ChEMBL ID
CHEMBL585923
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929 Mus musculus (Mouse)  1
1
IC50 = 200 nM
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