General Information of the Compound
| Compound ID |
CP0081900
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,3-dihydroxypropyl)-3-[4-fluoro-3-(thiophene-2-carbonylamino)anilino]-11-oxo-6H-benzo[c][1]benzoxepine-9-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H24FN3O6S
|
||||||||||||||||||
| Molecular Weight |
561.591
|
||||||||||||||||||
| Canonical SMILES |
OCC(O)CNC(=O)c1ccc2COc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H24FN3O6S/c30-23-8-6-18(11-24(23)33-29(38)26-2-1-9-40-26)32-19-5-7-21-25(12-19)39-15-17-4-3-16(10-22(17)27(21)36)28(37)31-13-20(35)14-34/h1-12,20,32,34-35H,13-15H2,(H,31,37)(H,33,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
STHABIWZJKRKDD-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