General Information of the Compound
Compound ID
CP0413751
Compound Name
N-(furan-2-ylmethyl)-N-methyladamantane-1-carboxamide
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Structure
Formula
C17H23NO2
Molecular Weight
273.376
Canonical SMILES
CN(Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C17H23NO2/c1-18(11-15-3-2-4-20-15)16(19)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14H,5-11H2,1H3
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InChIKey
SAVMLGNHQVHYAY-UHFFFAOYSA-N
Physicochemical Property
logP
3.4544
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
33.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 47006636
ChEMBL ID
CHEMBL2159083
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 = 249 nM
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