General Information of the Compound
Compound ID
CP0483148
Compound Name
4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl(cyclohexyl)methanone
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Structure
Formula
C16H23NO
Molecular Weight
245.366
Canonical SMILES
O=C(C1CCCCC1)N1CC2C3CC(C=C3)C2C1
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InChI
InChI=1S/C16H23NO/c18-16(11-4-2-1-3-5-11)17-9-14-12-6-7-13(8-12)15(14)10-17/h6-7,11-15H,1-5,8-10H2
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InChIKey
DXMJULIKMLDOFU-UHFFFAOYSA-N
Physicochemical Property
logP
2.8472
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
20.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 145958039
ChEMBL ID
CHEMBL4163698
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: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 < 100 nM
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