General Information of the Compound
Compound ID
CP0115845
Compound Name
4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
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Structure
Formula
C14H23N5
Molecular Weight
261.373
Canonical SMILES
N[C@@H]1CCCN(C1)c1cc(nc(N)n1)C1CCCC1
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InChI
InChI=1S/C14H23N5/c15-11-6-3-7-19(9-11)13-8-12(17-14(16)18-13)10-4-1-2-5-10/h8,10-11H,1-7,9,15H2,(H2,16,17,18)/t11-/m1/s1
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InChIKey
TXLNGXOHBQBFGK-LLVKDONJSA-N
Physicochemical Property
logP
1.6439
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
81.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 24994630
SID: 56336650
ChEMBL ID
CHEMBL3236559
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
Ki = 257 nM
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