General Information of the Compound
| Compound ID |
CP0398272
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9493412, 66
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N2O4
|
||||||||||||||||||
| Molecular Weight |
364.401
|
||||||||||||||||||
| Canonical SMILES |
CN1CC(C(=O)NCc2cccc(c2)-c2cccc(c2)C(C)=O)=C(O)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N2O4/c1-13(24)15-6-4-8-17(10-15)16-7-3-5-14(9-16)11-22-20(26)18-12-23(2)21(27)19(18)25/h3-10,25H,11-12H2,1-2H3,(H,22,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VEYMHFWYQUTTKV-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