General Information of the Compound
| Compound ID |
CP0468915
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(5-bromofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21BrN2O3
|
||||||||||||||||||
| Molecular Weight |
441.325
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(C(c2ccc(Br)o2)C2=C(CCCC2=O)N1)C(=O)Nc1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21BrN2O3/c1-12-6-3-4-7-14(12)25-22(27)19-13(2)24-15-8-5-9-16(26)20(15)21(19)17-10-11-18(23)28-17/h3-4,6-7,10-11,21,24H,5,8-9H2,1-2H3,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJJZMDYDXDGRAA-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