General Information of the Compound
| Compound ID |
CP0521232
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 118
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16FN3O4
|
||||||||||||||||||
| Molecular Weight |
357.341
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2OCC[C@@H](NC(=O)Nc3ccc4OCC(=O)Nc4c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16FN3O4/c19-10-1-3-15-12(7-10)13(5-6-25-15)22-18(24)20-11-2-4-16-14(8-11)21-17(23)9-26-16/h1-4,7-8,13H,5-6,9H2,(H,21,23)(H2,20,22,24)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMJDUDPAXFNAPB-CYBMUJFWSA-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