General Information of the Compound
Compound ID
CP0086342
Compound Name
N-diphenylphosphoryl-1-(2-pyridin-3-ylphenyl)methanamine
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Structure
Formula
C24H21N2OP
Molecular Weight
384.419
Canonical SMILES
O=P(NCc1ccccc1-c1cccnc1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H21N2OP/c27-28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)26-19-21-10-7-8-16-24(21)20-11-9-17-25-18-20/h1-18H,19H2,(H,26,27)
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InChIKey
DHYYFTONAREHFK-UHFFFAOYSA-N
Physicochemical Property
logP
4.7673
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 71520371
SID: 163512771
ChEMBL ID
CHEMBL2312924
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 = 2300 nM
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