General Information of the Compound
Compound ID
CP0579008
Compound Name
6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-(2-phenylethyl)-1H-quinolin-2-one
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Structure
Formula
C27H22ClN3O
Molecular Weight
439.946
Canonical SMILES
Clc1ccc(cc1)C(c1ccc2[nH]c(=O)cc(CCc3ccccc3)c2c1)n1ccnc1
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InChI
InChI=1S/C27H22ClN3O/c28-23-11-8-20(9-12-23)27(31-15-14-29-18-31)22-10-13-25-24(16-22)21(17-26(32)30-25)7-6-19-4-2-1-3-5-19/h1-5,8-18,27H,6-7H2,(H,30,32)
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InChIKey
QLCJYLDSVKCWAY-UHFFFAOYSA-N
Physicochemical Property
logP
5.8009
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
50.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
32

"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: 58722274
ChEMBL ID
CHEMBL4286610
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
EC50 > 10000 nM
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