General Information of the Compound
Compound ID
CP0429058
Compound Name
N-cyclohexyl-2-[(4-fluorophenyl)methyl]-3-oxo-6-phenylpyridazine-4-carboxamide
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Structure
Formula
C24H24FN3O2
Molecular Weight
405.473
Canonical SMILES
Fc1ccc(Cn2nc(cc(C(=O)NC3CCCCC3)c2=O)-c2ccccc2)cc1
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InChI
InChI=1S/C24H24FN3O2/c25-19-13-11-17(12-14-19)16-28-24(30)21(23(29)26-20-9-5-2-6-10-20)15-22(27-28)18-7-3-1-4-8-18/h1,3-4,7-8,11-15,20H,2,5-6,9-10,16H2,(H,26,29)
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InChIKey
IELGNPZONZEVBE-UHFFFAOYSA-N
Physicochemical Property
logP
4.1602
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
63.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 137650977
ChEMBL ID
CHEMBL4077875
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 467 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 44 nM
   TI
   LI
   LO
   TS