General Information of the Compound
Compound ID
CP0915633
Compound Name
N2-((3-fluoropyridin-4-yl)methyl)-N4,N6-diphenyl-1,3,5-triazine-2,4,6-triamine hydrochloride
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Structure
Formula
C21H19ClFN7
Molecular Weight
423.883
Canonical SMILES
Cl.Fc1cnccc1CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
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InChI
InChI=1S/C21H18FN7.ClH/c22-18-14-23-12-11-15(18)13-24-19-27-20(25-16-7-3-1-4-8-16)29-21(28-19)26-17-9-5-2-6-10-17;/h1-12,14H,13H2,(H3,24,25,26,27,28,29);1H
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InChIKey
WVXPSDVBHOKFFW-UHFFFAOYSA-N
Physicochemical Property
logP
4.9268
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
87.65
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 134142228
ChEMBL ID
CHEMBL3913727
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: PT06250, Potassium voltage-gated channel subfamily H member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 79 nM
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