General Information of the Compound
Compound ID
CP0924064
Compound Name
N2-isopropyl-N4,N6-diphenyl-1,3,5-triazine-2,4,6-triamine
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Structure
Formula
C18H20N6
Molecular Weight
320.4
Canonical SMILES
CC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
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InChI
InChI=1S/C18H20N6/c1-13(2)19-16-22-17(20-14-9-5-3-6-10-14)24-18(23-16)21-15-11-7-4-8-12-15/h3-13H,1-2H3,(H3,19,20,21,22,23,24)
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InChIKey
XDHYXZYJYANQCH-UHFFFAOYSA-N
Physicochemical Property
logP
4.1791
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
74.76
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 629324
ChEMBL ID
CHEMBL3951510
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 = 180 nM
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