General Information of the Compound
Compound ID
CP0095261
Compound Name
(3-Phenyl-adamantan-1-yl)-piperidin-1-yl-methanone
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Structure
Formula
C22H29NO
Molecular Weight
323.48
Canonical SMILES
O=C(N1CCCCC1)C12CC3CC(C1)CC(C3)(C2)c1ccccc1
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InChI
InChI=1S/C22H29NO/c24-20(23-9-5-2-6-10-23)22-14-17-11-18(15-22)13-21(12-17,16-22)19-7-3-1-4-8-19/h1,3-4,7-8,17-18H,2,5-6,9-16H2
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InChIKey
GRJCFVZPAQAKFW-UHFFFAOYSA-N
Physicochemical Property
logP
4.5371
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
20.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
24

"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: 2953793
ChEMBL ID
CHEMBL1088379
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 175 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 175 nM