General Information of the Compound
Compound ID
CP0336312
Compound Name
(1R,6R)-6-(4-phenylpiperidin-1-yl)cyclohex-3-en-1-ol
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Structure
Formula
C17H23NO
Molecular Weight
257.377
Canonical SMILES
O[C@@H]1CC=CC[C@H]1N1CCC(CC1)c1ccccc1
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InChI
InChI=1S/C17H23NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-7,15-17,19H,8-13H2/t16-,17-/m1/s1
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InChIKey
WDSUJLJJGGFILI-IAGOWNOFSA-N
Physicochemical Property
logP
2.9455
Rotatable Bonds
2
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: 44450421
ChEMBL ID
CHEMBL264437
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 = 18.4 nM
   TI
   LI
   LO
   TS