General Information of the Compound
Compound ID
CP0383939
Compound Name
3-Hydroxy-2-phenyl-quinoline-4-carboxylic acid (1-phenyl-propyl)-amide
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Structure
Formula
C25H22N2O2
Molecular Weight
382.463
Canonical SMILES
CCC(NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)
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InChIKey
BIAVGWDGIJKWRM-UHFFFAOYSA-N
CAS
174636-32-9
Physicochemical Property
logP
5.4885
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
62.22
Hydrogen Bond Donor Count
2
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: 133090
SID: 15750065
ChEMBL ID
CHEMBL275544
DrugBank ID
DB06429
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 = 2.4 nM
   TI
   LI
   LO
   TS
2
Ki = 2.512 nM
   TI
   LI
   LO
   TS