General Information of the Compound
Compound ID
CP0916170
Compound Name
7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
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Structure
Formula
C17H18Cl2N4O
Molecular Weight
365.264
Canonical SMILES
CCCNC(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
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InChI
InChI=1S/C17H18Cl2N4O/c1-3-7-20-17(24)15-10(2)22-14-6-8-21-23(14)16(15)11-4-5-12(18)13(19)9-11/h4-6,8-9,16,22H,3,7H2,1-2H3,(H,20,24)
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InChIKey
MZEOZHLMYVJVFI-UHFFFAOYSA-N
Physicochemical Property
logP
4.005
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
58.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 135443450
SID: 15148811
ChEMBL ID
CHEMBL447625
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 = 490 nM
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