General Information of the Compound
| Compound ID |
CP0532061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-Fluoro-1-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-de]acridine-2-carboxylic acid (3-methyl-isothiazol-5-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14FN3O2S
|
||||||||||||||||||
| Molecular Weight |
379.416
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(NC(=O)C2C(=O)N3c4c2cccc4Cc2cc(F)ccc32)sn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14FN3O2S/c1-10-7-16(27-23-10)22-19(25)17-14-4-2-3-11-8-12-9-13(21)5-6-15(12)24(18(11)14)20(17)26/h2-7,9,17H,8H2,1H3,(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FOQDTNBKBKDJPF-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