General Information of the Compound
Compound ID
CP0576946
Compound Name
4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine
    Show/Hide
Structure
Formula
C13H24N6
Molecular Weight
264.377
Canonical SMILES
CCC(CC)c1nc(N)nc(n1)N1CCN(C)CC1
    Show/Hide
InChI
InChI=1S/C13H24N6/c1-4-10(5-2)11-15-12(14)17-13(16-11)19-8-6-18(3)7-9-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
    Show/Hide
InChIKey
XYORNDHNKBLWAN-UHFFFAOYSA-N
Physicochemical Property
logP
1.1092
Rotatable Bonds
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 155568016
ChEMBL ID
CHEMBL4590367
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 = 1331 nM
   TI
   LI
   LO
   TS