General Information of the Compound
| Compound ID |
CP0578123
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8952008, 23
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23FN4O3S
|
||||||||||||||||||
| Molecular Weight |
466.538
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1-c1cc(ccc1F)-c1cnnc2n(cnc12)C1CC1)S(=O)(=O)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23FN4O3S/c1-14(2)33(30,31)17-7-8-18(22(11-17)32-3)19-10-15(4-9-21(19)25)20-12-27-28-24-23(20)26-13-29(24)16-5-6-16/h4,7-14,16H,5-6H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AAHOKZZOQDIZPP-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