General Information of the Compound
Compound ID
CP0859372
Compound Name
7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
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Structure
Formula
C24H32Cl2N4O
Molecular Weight
463.453
Canonical SMILES
CCCCCN(CCCCC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
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InChI
InChI=1S/C24H32Cl2N4O/c1-4-6-8-14-29(15-9-7-5-2)24(31)22-17(3)28-21-12-13-27-30(21)23(22)18-10-11-19(25)20(26)16-18/h10-13,16,23,28H,4-9,14-15H2,1-3H3
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InChIKey
HMGXPGMZAJUVKU-UHFFFAOYSA-N
Physicochemical Property
logP
6.6878
Rotatable Bonds
10
Heavy Atom Count
31
Polar Areas
50.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 135843739
ChEMBL ID
CHEMBL517025
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 = 580 nM
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