General Information of the Compound
Compound ID
CP0464721
Compound Name
3-methoxy-N',N',2-triphenylquinoline-4-carbohydrazide
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Structure
Formula
C29H23N3O2
Molecular Weight
445.522
Canonical SMILES
COc1c(nc2ccccc2c1C(=O)NN(c1ccccc1)c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C29H23N3O2/c1-34-28-26(24-19-11-12-20-25(24)30-27(28)21-13-5-2-6-14-21)29(33)31-32(22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-20H,1H3,(H,31,33)
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InChIKey
PQZWLIIGWDDMGC-UHFFFAOYSA-N
Physicochemical Property
logP
6.3935
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 44419687
ChEMBL ID
CHEMBL374354
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 = 0.85 nM
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