General Information of the Compound
| Compound ID |
CP0398607
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Oxo-1,2-dihydro-6-thia-10b-aza-aceanthrylene-2-carboxylic acid (2,4-difluoro-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H12F2N2O2S
|
||||||||||||||||||
| Molecular Weight |
394.402
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=O)C2C(=O)N3c4c2cccc4Sc2ccccc32)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H12F2N2O2S/c22-11-8-9-14(13(23)10-11)24-20(26)18-12-4-3-7-17-19(12)25(21(18)27)15-5-1-2-6-16(15)28-17/h1-10,18H,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQQZOHGQJHCLJC-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