General Information of the Compound
Compound ID
CP0433678
Compound Name
N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
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Structure
Formula
C18H25NOS
Molecular Weight
303.471
Canonical SMILES
CN(Cc1sccc1C)C(=O)C12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C18H25NOS/c1-12-3-4-21-16(12)11-19(2)17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-15H,5-11H2,1-2H3
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InChIKey
XZSLGHXKJJBTBO-UHFFFAOYSA-N
Physicochemical Property
logP
4.23132
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
20.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 51186945
ChEMBL ID
CHEMBL2159076
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 = 275 nM
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