General Information of the Compound
Compound ID
CP0166399
Compound Name
N-(2-adamantyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
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Structure
Formula
C24H32N2O
Molecular Weight
364.533
Canonical SMILES
O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CCc3ccccc23)CC1
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InChI
InChI=1S/C24H32N2O/c27-23(25-22-19-12-16-11-17(14-19)15-20(22)13-16)26-9-7-24(8-10-26)6-5-18-3-1-2-4-21(18)24/h1-4,16-17,19-20,22H,5-15H2,(H,25,27)
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InChIKey
LQODPNODUZWIMX-UHFFFAOYSA-N
Physicochemical Property
logP
4.5007
Rotatable Bonds
1
Heavy Atom Count
27
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
27

"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: 25064398
SID: 56401243
ChEMBL ID
CHEMBL596621
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 0.8 nM
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