General Information of the Compound
Compound ID
CP0228384
Compound Name
N-diphenylphosphorylpyridin-3-amine
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Structure
Formula
C17H15N2OP
Molecular Weight
294.294
Canonical SMILES
O=P(Nc1cccnc1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C17H15N2OP/c20-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)19-15-8-7-13-18-14-15/h1-14H,(H,19,20)
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InChIKey
IJFWOYIPMNUROU-UHFFFAOYSA-N
Physicochemical Property
logP
3.4226
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 4390854
SID: 163512631
ChEMBL ID
CHEMBL2313224
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 > 30000 nM
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