General Information of the Compound
Compound ID
CP0523397
Compound Name
1-Adamantan-1-ylmethyl-1H-imidazole
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Structure
Formula
C14H20N2
Molecular Weight
216.328
Canonical SMILES
C(n1ccnc1)C12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C14H20N2/c1-2-16(10-15-1)9-14-6-11-3-12(7-14)5-13(4-11)8-14/h1-2,10-13H,3-9H2
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InChIKey
ONUXQVADXWYYEX-UHFFFAOYSA-N
Physicochemical Property
logP
3.0995
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 10584844
ChEMBL ID
CHEMBL1651505
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 30 nM
   TI
   LI
   LO
   TS