General Information of the Compound
| Compound ID |
CP0892478
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3-Hydroxy-4-oxo-1,4-dihydroquinolin-2-yl)-2-(piperidin-1-yl)-benzoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N2O4
|
||||||||||||||||||
| Molecular Weight |
364.401
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)c1cc(-c2[nH]c3ccccc3c(=O)c2O)ccc1N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N2O4/c24-19-14-6-2-3-7-16(14)22-18(20(19)25)13-8-9-17(15(12-13)21(26)27)23-10-4-1-5-11-23/h2-3,6-9,12,25H,1,4-5,10-11H2,(H,22,24)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSVUQTTWPPMTHY-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