General Information of the Compound
Compound ID
CP0392284
Compound Name
N-methyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide
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Structure
Formula
C19H26N2O
Molecular Weight
298.43
Canonical SMILES
CN(CCc1ccccn1)C(=O)C12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C19H26N2O/c1-21(7-5-17-4-2-3-6-20-17)18(22)19-11-14-8-15(12-19)10-16(9-14)13-19/h2-4,6,14-16H,5,7-13H2,1H3
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InChIKey
CYFVRHWTRDTVNC-UHFFFAOYSA-N
Physicochemical Property
logP
3.2989
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
33.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 57576967
ChEMBL ID
CHEMBL2159646
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 = 165 nM
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