General Information of the Compound
Compound ID
CP0456269
Compound Name
(2R,3R)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
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Structure
Formula
C21H23NO
Molecular Weight
305.421
Canonical SMILES
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(=CC1)c1ccccc1
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InChI
InChI=1S/C21H23NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-10,20-21,23H,11-15H2/t20-,21-/m1/s1
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InChIKey
LFVKWUJYTVQXQE-NHCUHLMSSA-N
Physicochemical Property
logP
3.304
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 15925920
ChEMBL ID
CHEMBL3589727
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 = 7.3 nM
   TI
   LI
   LO
   TS