General Information of the Compound
| Compound ID |
CP0577828
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8952008, 29
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21FN4O3S
|
||||||||||||||||||
| Molecular Weight |
452.511
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1-c1cc(ccc1F)-c1cnnc2n(cnc12)C1CCC1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21FN4O3S/c1-31-21-11-16(32(2,29)30)7-8-17(21)18-10-14(6-9-20(18)24)19-12-26-27-23-22(19)25-13-28(23)15-4-3-5-15/h6-13,15H,3-5H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAOBWKDFKARWAM-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