General Information of the Compound
Compound ID
CP0421352
Compound Name
N'-acetyl-3-methoxy-N',2-diphenylquinoline-4-carbohydrazide
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Structure
Formula
C25H21N3O3
Molecular Weight
411.461
Canonical SMILES
COc1c(nc2ccccc2c1C(=O)NN(C(C)=O)c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C25H21N3O3/c1-17(29)28(19-13-7-4-8-14-19)27-25(30)22-20-15-9-10-16-21(20)26-23(24(22)31-2)18-11-5-3-6-12-18/h3-16H,1-2H3,(H,27,30)
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InChIKey
GWFQWGQGLMRXNV-UHFFFAOYSA-N
Physicochemical Property
logP
4.6083
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
71.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 11517160
SID: 16619126
ChEMBL ID
CHEMBL220907
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 = 210 nM
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