General Information of the Compound
| Compound ID |
CP0383917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Methyl-isoxazole-3-carboxylic acid 3-(9-chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]quinolin-5-yl)-benzylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H17ClN4O4
|
||||||||||||||||||
| Molecular Weight |
448.866
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(no1)C(=O)NCc1cccc(c1)-n1c2cccc(Cl)c2c2noc(C)c2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H17ClN4O4/c1-12-9-17(26-31-12)22(29)25-11-14-5-3-6-15(10-14)28-18-8-4-7-16(24)20(18)21-19(23(28)30)13(2)32-27-21/h3-10H,11H2,1-2H3,(H,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOJRZGAQFSZIDL-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