General Information of the Compound
Compound ID
CP0894476
Compound Name
4-(4-Methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-ylamine
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Structure
Formula
C14H24N6
Molecular Weight
276.388
Canonical SMILES
CN1CCN(c2cc(N3CCCCC3)nc(N)n2)CC1
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InChI
InChI=1S/C14H24N6/c1-18-7-9-20(10-8-18)13-11-12(16-14(15)17-13)19-5-3-2-4-6-19/h11H,2-10H2,1H3,(H2,15,16,17)
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InChIKey
INGFFZLZQUJWBO-UHFFFAOYSA-N
Physicochemical Property
logP
0.8009
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
61.52
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: 24798595
SID: 49742493
ChEMBL ID
CHEMBL444782
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: PT02519, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 46.77 nM
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