General Information of the Compound
| Compound ID |
CP0436289
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[5-(3-Fluorophenyl)-pyridin-3-yl]-1,2,5,6-tetrahydro-4H-pyrrolo-[3,2,1-ij]quinolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H17FN2O
|
||||||||||||||||||
| Molecular Weight |
344.389
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)-c1cncc(c1)-c1cc2CCN3c2c(CCC3=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17FN2O/c23-20-3-1-2-14(11-20)18-10-19(13-24-12-18)17-8-15-4-5-21(26)25-7-6-16(9-17)22(15)25/h1-3,8-13H,4-7H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UKUOETGDKYUHAS-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