General Information of the Compound
Compound ID
CP0393069
Compound Name
2-Phenyl-quinoline-4-carboxylic acid (2-methoxy-1-phenyl-ethyl)-amide
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Structure
Formula
C25H22N2O2
Molecular Weight
382.463
Canonical SMILES
COCC(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C25H22N2O2/c1-29-17-24(19-12-6-3-7-13-19)27-25(28)21-16-23(18-10-4-2-5-11-18)26-22-15-9-8-14-20(21)22/h2-16,24H,17H2,1H3,(H,27,28)
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InChIKey
OYZTTZSJZFVXLK-UHFFFAOYSA-N
Physicochemical Property
logP
5.0193
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 10571967
SID: 15600037
ChEMBL ID
CHEMBL274628
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: PT01199, Neuromedin-K receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 314 nM
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