General Information of the Compound
Compound ID
CP0376712
Compound Name
2-Phenyl-quinoline-4-carboxylic acid (1-phenyl-propyl)-amide
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Structure
Formula
C25H22N2O
Molecular Weight
366.464
Canonical SMILES
CCC(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C25H22N2O/c1-2-22(18-11-5-3-6-12-18)27-25(28)21-17-24(19-13-7-4-8-14-19)26-23-16-10-9-15-20(21)23/h3-17,22H,2H2,1H3,(H,27,28)
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InChIKey
MXNGYQJJYRVGGJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.7829
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 2932589
SID: 15148901
ChEMBL ID
CHEMBL10160
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)  2
1
Ki = 31.62 nM
   TI
   LI
   LO
   TS
2
Ki = 34 nM
   TI
   LI
   LO
   TS