General Information of the Compound
| Compound ID |
CP0121151
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[[3,5-bis(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H18F6N2O
|
||||||||||||||||||
| Molecular Weight |
476.42
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H18F6N2O/c26-24(27,28)19-11-18(12-20(13-19)25(29,30)31)22(14-3-6-32-7-4-14)17-9-15-1-2-21(34)33-8-5-16(10-17)23(15)33/h3-4,6-7,9-13,22H,1-2,5,8H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NFARRSJDQSVNRS-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