General Information of the Compound
Compound ID
CP0565957
Compound Name
5-(cyclohexylmethoxy)-1,4-dimethyl-N-(6-methylpyridin-2-yl)pyrazole-3-carboxamide
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Structure
Formula
C19H26N4O2
Molecular Weight
342.443
Canonical SMILES
Cc1c(OCC2CCCCC2)n(C)nc1C(=O)Nc1cccc(C)n1
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InChI
InChI=1S/C19H26N4O2/c1-13-8-7-11-16(20-13)21-18(24)17-14(2)19(23(3)22-17)25-12-15-9-5-4-6-10-15/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H,20,21,24)
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InChIKey
HJUYEZVNLJFONQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.64334
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
69.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 71580022
SID: 163625508
ChEMBL ID
CHEMBL2349548
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1300 nM
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