General Information of the Compound
| Compound ID |
CP0518264
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9067935, 46
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16Cl2FN3O2S
|
||||||||||||||||||
| Molecular Weight |
464.349
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(nc2ccc(Cl)cn12)N(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16Cl2FN3O2S/c1-14-21(25-20-10-8-16(22)13-26(14)20)27(12-15-7-9-19(24)18(23)11-15)30(28,29)17-5-3-2-4-6-17/h2-11,13H,12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPGFZIDWCMFJQW-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