General Information of the Compound
Compound ID
CP0873001
Compound Name
N2-(2-methoxyethyl)-N4,N6-diphenyl-1,3,5-triazine-2,4,6-triamine
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Structure
Formula
C18H20N6O
Molecular Weight
336.399
Canonical SMILES
COCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
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InChI
InChI=1S/C18H20N6O/c1-25-13-12-19-16-22-17(20-14-8-4-2-5-9-14)24-18(23-16)21-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H3,19,20,21,22,23,24)
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InChIKey
BGPGZASPPKXJHH-UHFFFAOYSA-N
Physicochemical Property
logP
3.4171
Rotatable Bonds
8
Heavy Atom Count
25
Polar Areas
83.99
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
25

"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: 85854102
ChEMBL ID
CHEMBL3906562
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 = 290 nM
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