General Information of the Compound
Compound ID
CP0421759
Compound Name
N-(2-adamantyl)spiro[1,3-dihydroindene-2,3'-piperidine]-1'-carboxamide
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Structure
Formula
C24H32N2O
Molecular Weight
364.533
Canonical SMILES
O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC2(Cc3ccccc3C2)C1
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InChI
InChI=1S/C24H32N2O/c27-23(25-22-20-9-16-8-17(11-20)12-21(22)10-16)26-7-3-6-24(15-26)13-18-4-1-2-5-19(18)14-24/h1-2,4-5,16-17,20-22H,3,6-15H2,(H,25,27)
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InChIKey
ABEIEQCSUITISS-UHFFFAOYSA-N
Physicochemical Property
logP
4.4017
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: 46231489
ChEMBL ID
CHEMBL596620
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 = 0.7 nM
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