General Information of the Compound
| Compound ID |
CP0298848
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-Methanesulfonyl-phenyl)-3-pyridin-3-yl-5H-furan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13NO4S
|
||||||||||||||||||
| Molecular Weight |
315.35
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13NO4S/c1-22(19,20)13-6-4-11(5-7-13)14-10-21-16(18)15(14)12-3-2-8-17-9-12/h2-9H,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPJSCCVQEPCKGQ-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