General Information of the Compound
Compound ID
CP0295809
Compound Name
2-(4-Phenyl-piperidin-1-yl)-cyclohexanol
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Synonyms
2-(4-Phenyl-1-piperidinyl)cyclohexanol
2-(4-Phenyl-piperidin-1-yl)-cyclohexanol
2-(4-Phenylpiperidino)cyclohexanol
2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
22232-64-0
23965-53-9
AC1L1KUQ
AC1Q7BAI
AH-5183
BSPBio_003302
CHEMBL20943
Cyclohexanol, 2-(4-phenyl-1-piperidinyl)-
KBioSS_000772
Lopac0_001228
MLS000554350
MLS001201728
Opera_ID_322
Oprea1_695768
Oprea1_778558
Prestwick0_000920
Prestwick1_000920
Prestwick2_000920
SMR000146667
Spectrum3_001861
Spectrum_000292
V-100
VESAMICOL HYDROCHLORIDE
vesamicol
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Structure
Formula
C17H25NO
Molecular Weight
259.393
Canonical SMILES
OC1CCCCC1N1CCC(CC1)c1ccccc1
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InChI
InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2
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InChIKey
YSSBJODGIYRAMI-UHFFFAOYSA-N
Physicochemical Property
logP
3.1695
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: 5662
SID: 14774640
ChEMBL ID
CHEMBL20943
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 58 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT05156, Vesicular acetylcholine transporter
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
Ki = 48.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( vesamicol )
Drug Name vesamicol
Target(s)
Vesicular acetylcholine transporter (SLC18A3)
 Target Info 
Inhibitor