General Information of the Compound
| Compound ID |
CP0419254
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9067935, 111
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18ClF2N3O4S
|
||||||||||||||||||
| Molecular Weight |
505.93
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(F)c1)c1nc2ccc(Cl)cn2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18ClF2N3O4S/c1-14-22(27-21-10-6-17(24)13-28(14)21)29(12-15-3-9-19(25)20(26)11-15)34(31,32)18-7-4-16(5-8-18)23(30)33-2/h3-11,13H,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJYZMDWMEPXHJF-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