General Information of the Compound
Compound ID
CP0487007
Compound Name
4-(4-methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine
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Structure
Formula
C14H18N6
Molecular Weight
270.34
Canonical SMILES
CN1CCN(CC1)c1nc(N)nc(n1)-c1ccccc1
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InChI
InChI=1S/C14H18N6/c1-19-7-9-20(10-8-19)14-17-12(16-13(15)18-14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,15,16,17,18)
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InChIKey
VCWIGGUVNPQGRG-UHFFFAOYSA-N
Physicochemical Property
logP
0.8726
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
71.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 21842421
ChEMBL ID
CHEMBL3290571
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 = 1099 nM
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   LI
   LO
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