General Information of the Compound
| Compound ID |
CP0481105
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9493412, 169
Show/Hide
|
||||||||||||||||||
| Formula |
C21H23F5N2O3
|
||||||||||||||||||
| Molecular Weight |
446.416
|
||||||||||||||||||
| Canonical SMILES |
OC1=C(CN(CCC(F)(F)C(F)(F)F)C1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F5N2O3/c22-20(23,21(24,25)26)10-11-28-12-16(17(29)19(28)31)18(30)27-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,14-15,29H,6-12H2,(H,27,30)/t14-,15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVBDTAFEQRSACL-GASCZTMLSA-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 | |||||||||||||||||||
| 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