General Information of the Compound
Compound ID
CP0864216
Compound Name
N2-pentyl-N4,N6-diphenyl-1,3,5-triazine-2,4,6-triamine
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Structure
Formula
C20H24N6
Molecular Weight
348.454
Canonical SMILES
CCCCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
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InChI
InChI=1S/C20H24N6/c1-2-3-10-15-21-18-24-19(22-16-11-6-4-7-12-16)26-20(25-18)23-17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3,(H3,21,22,23,24,25,26)
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InChIKey
INDSVVPVQHFDTH-UHFFFAOYSA-N
Physicochemical Property
logP
4.9609
Rotatable Bonds
9
Heavy Atom Count
26
Polar Areas
74.76
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 85854089
ChEMBL ID
CHEMBL3981009
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 = 390 nM
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