General Information of the Compound
| Compound ID |
CP0517161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9067935, 39
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
475.492
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(nc2ccc(C)cn12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20F3N3O3S/c1-16-8-13-21-27-22(17(2)28(21)14-16)29(33(30,31)20-6-4-3-5-7-20)15-18-9-11-19(12-10-18)32-23(24,25)26/h3-14H,15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HHGCVNMMTWYXKU-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