General Information of the Compound
Compound ID
CP0888265
Compound Name
5-(4,6-bis(phenylamino)-1,3,5-triazin-2-ylamino)pentan-1-ol
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Structure
Formula
C20H24N6O
Molecular Weight
364.453
Canonical SMILES
OCCCCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
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InChI
InChI=1S/C20H24N6O/c27-15-9-3-8-14-21-18-24-19(22-16-10-4-1-5-11-16)26-20(25-18)23-17-12-6-2-7-13-17/h1-2,4-7,10-13,27H,3,8-9,14-15H2,(H3,21,22,23,24,25,26)
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InChIKey
HTVIFUZQDNXMBT-UHFFFAOYSA-N
Physicochemical Property
logP
3.9333
Rotatable Bonds
10
Heavy Atom Count
27
Polar Areas
94.99
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 85854136
ChEMBL ID
CHEMBL3899865
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 = 190 nM
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