General Information of the Compound
| Compound ID |
CP0561439
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-fluorophenyl)-N-methyl-8-methylsulfonyl-6,7-dihydro-5H-furo[3,2-g]quinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19FN2O4S
|
||||||||||||||||||
| Molecular Weight |
402.447
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1c(oc2cc3N(CCCc3cc12)S(C)(=O)=O)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19FN2O4S/c1-22-20(24)18-15-10-13-4-3-9-23(28(2,25)26)16(13)11-17(15)27-19(18)12-5-7-14(21)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PSSRELQGQJGDKD-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