General Information of the Compound
Compound ID
CP0247278
Compound Name
3-[diphenylphosphoryl(phenyl)methyl]pyridine
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Structure
Formula
C24H20NOP
Molecular Weight
369.404
Canonical SMILES
O=P(C(c1ccccc1)c1cccnc1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H20NOP/c26-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24(20-11-4-1-5-12-20)21-13-10-18-25-19-21/h1-19,24H
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InChIKey
QWDDTOMERKJRQK-UHFFFAOYSA-N
Physicochemical Property
logP
5.1851
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
29.96
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 71520576
SID: 163513045
ChEMBL ID
CHEMBL2312926
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 100 nM
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