General Information of the Compound
Compound ID
CP0392283
Compound Name
N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide
    Show/Hide
Structure
Formula
C17H24N2O
Molecular Weight
272.392
Canonical SMILES
Cn1cccc1CNC(=O)C12CC3CC(CC(C3)C1)C2
    Show/Hide
InChI
InChI=1S/C17H24N2O/c1-19-4-2-3-15(19)11-18-16(20)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14H,5-11H2,1H3,(H,18,20)
    Show/Hide
InChIKey
QJBSHTHXHDZKAJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.8577
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
34.03
Hydrogen Bond Donor Count
1
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 57576892
ChEMBL ID
CHEMBL2159085
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 = 1700 nM
   TI
   LI
   LO
   TS