General Information of the Compound
| Compound ID |
CP0469613
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9353081, 43
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26FN3O2
|
||||||||||||||||||
| Molecular Weight |
395.478
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N[C@@H]1[C@H](C)CCc2c1cncc2-c1cc2CCC(=O)N(C)c2cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26FN3O2/c1-4-21(28)26-23-13(2)5-7-15-17(11-25-12-18(15)23)16-9-14-6-8-22(29)27(3)20(14)10-19(16)24/h9-13,23H,4-8H2,1-3H3,(H,26,28)/t13-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BEERUBBOKQJIII-JCQPUDPBSA-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