General Information of the Compound
Compound ID
CP0850219
Compound Name
7-(3,4-dichlorophenyl)-5-methyl-6-(7-methyl-1H-benzo[d]imidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
    Show/Hide
Structure
Formula
C21H17Cl2N5
Molecular Weight
410.308
Canonical SMILES
CC1=C(c2nc3cccc(C)c3[nH]2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
    Show/Hide
InChI
InChI=1S/C21H17Cl2N5/c1-11-4-3-5-16-19(11)27-21(26-16)18-12(2)25-17-8-9-24-28(17)20(18)13-6-7-14(22)15(23)10-13/h3-10,20,25H,1-2H3,(H,26,27)
    Show/Hide
InChIKey
JZWZOVRMFCFJOE-UHFFFAOYSA-N
Physicochemical Property
logP
5.82072
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
58.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 135843887
ChEMBL ID
CHEMBL583857
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 = 150 nM
   TI
   LI
   LO
   TS