General Information of the Compound
Compound ID
CP0384155
Compound Name
2-Phenyl-quinoline-4-carboxylic acid (1,2-diphenyl-ethyl)-amide
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Structure
Formula
C30H24N2O
Molecular Weight
428.535
Canonical SMILES
O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(nc2ccccc12)-c1ccccc1
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InChI
InChI=1S/C30H24N2O/c33-30(32-28(23-14-6-2-7-15-23)20-22-12-4-1-5-13-22)26-21-29(24-16-8-3-9-17-24)31-27-19-11-10-18-25(26)27/h1-19,21,28H,20H2,(H,32,33)
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InChIKey
PQPGIXLRLWOMKC-UHFFFAOYSA-N
Physicochemical Property
logP
6.6156
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
33

"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: 3628880
SID: 15200975
ChEMBL ID
CHEMBL10231
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 = 3162.28 nM
   TI
   LI
   LO
   TS
2
Ki = 3511 nM
   TI
   LI
   LO
   TS