General Information of the Compound
Compound ID
CP0242757
Compound Name
6-N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyridine-2,6-diamine
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Structure
Formula
C15H25N5
Molecular Weight
275.4
Canonical SMILES
CN1CCN(CC1)c1cc(N)nc(NC2CCCC2)c1
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InChI
InChI=1S/C15H25N5/c1-19-6-8-20(9-7-19)13-10-14(16)18-15(11-13)17-12-4-2-3-5-12/h10-12H,2-9H2,1H3,(H3,16,17,18)
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InChIKey
KCEDEBUAOPDHGT-UHFFFAOYSA-N
Physicochemical Property
logP
1.7701
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
57.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 53233804
SID: 124342623
ChEMBL ID
CHEMBL1770966
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
CL000074 SK-N-MC Homo sapiens (Human)  1
1
EC50 = 11 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3 nM