General Information of the Compound
Compound ID
CP0430107
Compound Name
4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
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Structure
Formula
C13H24N6
Molecular Weight
264.377
Canonical SMILES
CN1CCN(CC1)c1nc(N)nc(CC(C)(C)C)n1
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InChI
InChI=1S/C13H24N6/c1-13(2,3)9-10-15-11(14)17-12(16-10)19-7-5-18(4)6-8-19/h5-9H2,1-4H3,(H2,14,15,16,17)
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InChIKey
VKQRAIYUZGZBBC-UHFFFAOYSA-N
Physicochemical Property
logP
0.7942
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
71.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
19

"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: 155546701
ChEMBL ID
CHEMBL4534504
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 247 nM
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   LI
   LO
   TS