General Information of the Compound
Compound ID
CP0467293
Compound Name
ethyl N-[(3-methoxy-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate
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Structure
Formula
C26H23N3O4
Molecular Weight
441.487
Canonical SMILES
CCOC(=O)N(NC(=O)c1c(OC)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C26H23N3O4/c1-3-33-26(31)29(19-14-8-5-9-15-19)28-25(30)22-20-16-10-11-17-21(20)27-23(24(22)32-2)18-12-6-4-7-13-18/h4-17H,3H2,1-2H3,(H,28,30)
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InChIKey
JRCIRGWGKHTGGN-UHFFFAOYSA-N
Physicochemical Property
logP
5.2183
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
80.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 44419696
ChEMBL ID
CHEMBL220581
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
IC50 = 60 nM
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