General Information of the Compound
| Compound ID |
CP0174728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216981, 14
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H16ClF2N7O2S
|
||||||||||||||||||
| Molecular Weight |
527.944
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H16ClF2N7O2S/c1-12-14(24)5-2-6-17(12)36(34,35)33-16-8-7-15(25)20(18(16)26)32-22-13(4-3-9-27-22)19-21-23(30-10-28-19)31-11-29-21/h2-11,33H,1H3,(H,27,32)(H,28,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XTFGLALDZROXLK-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