General Information of the Compound
| Compound ID |
CP0450174
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8952008, 6
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23FN4O3S
|
||||||||||||||||||
| Molecular Weight |
466.538
|
||||||||||||||||||
| Canonical SMILES |
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23FN4O3S/c1-3-29-14-26-23-20(13-27-28-24(23)29)15-7-10-21(25)19(11-15)18-9-8-17(12-22(18)32-2)33(30,31)16-5-4-6-16/h7-14,16H,3-6H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QZVVTUGVJFSMAN-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