General Information of the Compound
| Compound ID |
CP0419058
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-isoquinolin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N2O
|
||||||||||||||||||
| Molecular Weight |
302.377
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N2O/c1-2-20(23)22-10-9-15-11-14(7-8-19(15)22)18-13-21-12-16-5-3-4-6-17(16)18/h3-8,11-13H,2,9-10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMPBWZLPWZAVKH-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