General Information of the Compound
Compound ID
CP0914026
Compound Name
N-(2-(7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)-1-methyl-1H-benzo[d]imidazol-5-yl)acetamide
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Structure
Formula
C23H20Cl2N6O
Molecular Weight
467.36
Canonical SMILES
CC(=O)Nc1ccc2c(c1)nc(C1=C(C)Nc3ccnn3C1c1ccc(Cl)c(Cl)c1)n2C
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InChI
InChI=1S/C23H20Cl2N6O/c1-12-21(23-29-18-11-15(28-13(2)32)5-7-19(18)30(23)3)22(31-20(27-12)8-9-26-31)14-4-6-16(24)17(25)10-14/h4-11,22,27H,1-3H3,(H,28,32)
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InChIKey
FCGLYXNJMRCXHG-UHFFFAOYSA-N
Physicochemical Property
logP
5.4811
Rotatable Bonds
3
Heavy Atom Count
32
Polar Areas
76.77
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 136180756
ChEMBL ID
CHEMBL584507
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 > 1000 nM
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