General Information of the Compound
| Compound ID |
CP0501158
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-(2,5-Dimethoxy-benzenesulfonyl)-piperidin-4-yl]-8-methyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N2O6S
|
||||||||||||||||||
| Molecular Weight |
446.525
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N1C(=O)OCc2cccc(C)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N2O6S/c1-15-5-4-6-16-14-30-22(25)24(21(15)16)17-9-11-23(12-10-17)31(26,27)20-13-18(28-2)7-8-19(20)29-3/h4-8,13,17H,9-12,14H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCZNWSVEHSSSBT-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