General Information of the Compound
| Compound ID |
CP0457688
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-(mesitylsulfonyl)-3-oxo-1,2,3,4-tetrahydronoxalin-2-yl)-N-(2-methoxyphenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27N3O5S
|
||||||||||||||||||
| Molecular Weight |
493.585
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1NC(=O)CC1N(c2ccccc2NC1=O)S(=O)(=O)c1c(C)cc(C)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27N3O5S/c1-16-13-17(2)25(18(3)14-16)35(32,33)29-21-11-7-5-9-19(21)28-26(31)22(29)15-24(30)27-20-10-6-8-12-23(20)34-4/h5-14,22H,15H2,1-4H3,(H,27,30)(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIAFANJGTBOICW-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