General Information of the Compound
Compound ID
CP0415459
Compound Name
4-(methoxymethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
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Structure
Formula
C10H18N6O
Molecular Weight
238.295
Canonical SMILES
COCc1nc(N)nc(n1)N1CCN(C)CC1
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InChI
InChI=1S/C10H18N6O/c1-15-3-5-16(6-4-15)10-13-8(7-17-2)12-9(11)14-10/h3-7H2,1-2H3,(H2,11,12,13,14)
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InChIKey
VPISCWAZKVMMFT-UHFFFAOYSA-N
Physicochemical Property
logP
-0.648
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
80.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
17

"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: 155545099
ChEMBL ID
CHEMBL4528587
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 > 10000 nM
   TI
   LI
   LO
   TS