General Information of the Compound
Compound ID
CP0395228
Compound Name
2-Phenyl-quinoline-4-carboxylic acid (1-phenyl-butyl)-amide
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Structure
Formula
C26H24N2O
Molecular Weight
380.491
Canonical SMILES
CCCC(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C26H24N2O/c1-2-11-23(19-12-5-3-6-13-19)28-26(29)22-18-25(20-14-7-4-8-15-20)27-24-17-10-9-16-21(22)24/h3-10,12-18,23H,2,11H2,1H3,(H,28,29)
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InChIKey
WFAFZPXVSNIHSA-UHFFFAOYSA-N
Physicochemical Property
logP
6.173
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 9970049
SID: 14947151
ChEMBL ID
CHEMBL276386
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 = 47.2 nM
   TI
   LI
   LO
   TS
2
Ki = 50.12 nM
   TI
   LI
   LO
   TS