General Information of the Compound
Compound ID
CP0202430
Compound Name
2-cyclohexyl-1-(4-ethylpiperazin-1-yl)ethanone
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Structure
Formula
C14H26N2O
Molecular Weight
238.375
Canonical SMILES
CCN1CCN(CC1)C(=O)CC1CCCCC1
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InChI
InChI=1S/C14H26N2O/c1-2-15-8-10-16(11-9-15)14(17)12-13-6-4-3-5-7-13/h13H,2-12H2,1H3
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InChIKey
ZXOWCFUEOANBIY-UHFFFAOYSA-N
Physicochemical Property
logP
2.1209
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
23.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 36054272
ChEMBL ID
CHEMBL247769
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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   LI
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   TS