General Information of the Compound
| Compound ID |
CP0412026
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9212182, 467
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H18ClFN4O4S
|
||||||||||||||||||
| Molecular Weight |
536.972
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(c(Cl)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1cccnn1)-c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H18ClFN4O4S/c1-36-24-14-20(16-4-2-5-18(28)12-16)21(27)15-23(24)32-22-9-8-19(13-17(22)7-10-26(32)33)37(34,35)31-25-6-3-11-29-30-25/h2-15H,1H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKIDFORJSUPOOU-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