General Information of the Compound
Compound ID
CP0968701
Compound Name
(+/-)-2-(ethyl(3-phenylpropyl)amino)cyclohexanol
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Structure
Formula
C17H27NO
Molecular Weight
261.409
Canonical SMILES
CCN(CCCc1ccccc1)[C@@H]1CCCC[C@H]1O
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InChI
InChI=1S/C17H27NO/c1-2-18(16-12-6-7-13-17(16)19)14-8-11-15-9-4-3-5-10-15/h3-5,9-10,16-17,19H,2,6-8,11-14H2,1H3/t16-,17-/m1/s1
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InChIKey
FUUZFYOXZOXIIK-IAGOWNOFSA-N
Physicochemical Property
logP
3.2446
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 122181302
ChEMBL ID
CHEMBL3590031
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: PT05156, Vesicular acetylcholine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS