General Information of the Compound
Compound ID
CP0207227
Compound Name
N-diphenylphosphoryl-2-(4-methoxyphenyl)pyridin-3-amine
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Structure
Formula
C24H21N2O2P
Molecular Weight
400.418
Canonical SMILES
COc1ccc(cc1)-c1ncccc1NP(=O)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H21N2O2P/c1-28-20-16-14-19(15-17-20)24-23(13-8-18-25-24)26-29(27,21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-18H,1H3,(H,26,27)
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InChIKey
BRICGKXBKLEEGW-UHFFFAOYSA-N
Physicochemical Property
logP
5.0982
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
51.22
Hydrogen Bond Donor Count
1
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: 71520369
SID: 163512769
ChEMBL ID
CHEMBL2312922
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 = 17000 nM
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