General Information of the Compound
Compound ID
CP0914023
Compound Name
6-(1H-benzo[d]imidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
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Structure
Formula
C20H15Cl2N5
Molecular Weight
396.281
Canonical SMILES
CC1=C(c2nc3ccccc3[nH]2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
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InChI
InChI=1S/C20H15Cl2N5/c1-11-18(20-25-15-4-2-3-5-16(15)26-20)19(27-17(24-11)8-9-23-27)12-6-7-13(21)14(22)10-12/h2-10,19,24H,1H3,(H,25,26)
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InChIKey
MXONQYJDHGYYJC-UHFFFAOYSA-N
Physicochemical Property
logP
5.5123
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
58.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 135843988
ChEMBL ID
CHEMBL569268
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 = 510 nM
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