General Information of the Compound
Compound ID
CP0513447
Compound Name
1-benzyl-N-cyclohexyl-2-oxoquinoline-3-carboxamide
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Structure
Formula
C23H24N2O2
Molecular Weight
360.457
Canonical SMILES
O=C(NC1CCCCC1)c1cc2ccccc2n(Cc2ccccc2)c1=O
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InChI
InChI=1S/C23H24N2O2/c26-22(24-19-12-5-2-6-13-19)20-15-18-11-7-8-14-21(18)25(23(20)27)16-17-9-3-1-4-10-17/h1,3-4,7-11,14-15,19H,2,5-6,12-13,16H2,(H,24,26)
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InChIKey
IIGNHLGKWYVILK-UHFFFAOYSA-N
Physicochemical Property
logP
4.1123
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
51.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 60145369
SID: 143488507
ChEMBL ID
CHEMBL2022360
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 67 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 16 nM
   TI
   LI
   LO
   TS