General Information of the Compound
| Compound ID |
CP0530677
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9303045, 18
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22FN3O3S
|
||||||||||||||||||
| Molecular Weight |
379.457
|
||||||||||||||||||
| Canonical SMILES |
CN1C2CCC1CC(C2)NC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22FN3O3S/c1-21-13-4-5-14(21)9-12(8-13)20-18(23)16-10-22(26(2,24)25)17-6-3-11(19)7-15(16)17/h3,6-7,10,12-14H,4-5,8-9H2,1-2H3,(H,20,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CGQOHZLNGFYUML-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