General Information of the Compound
| Compound ID |
CP0526097
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9340500, I-102
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
485.572
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(cc(n1C1CCN(CC1)S(C)(=O)=O)C(C)(C)C)C(=O)Nc1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30F3N3O3S/c1-15-19(21(30)27-17-8-6-7-16(13-17)23(24,25)26)14-20(22(2,3)4)29(15)18-9-11-28(12-10-18)33(5,31)32/h6-8,13-14,18H,9-12H2,1-5H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RDGNLSNMVVLNRC-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