General Information of the Compound
| Compound ID |
CP0142269
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(2-methyl-1-pyridin-4-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N2O
|
||||||||||||||||||
| Molecular Weight |
306.409
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N2O/c1-13(2)19(14-5-8-21-9-6-14)17-11-15-3-4-18(23)22-10-7-16(12-17)20(15)22/h5-6,8-9,11-13,19H,3-4,7,10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QWDAAGTUPWTYTM-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial