General Information of the Compound
| Compound ID |
CP0365552
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(2-chloro-4-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]-2,6-difluorobenzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17ClF2N2O7S
|
||||||||||||||||||
| Molecular Weight |
490.868
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Cl)c(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17ClF2N2O7S/c1-30-15-9-12(20)11(8-16(15)32(28,29)24-2-4-31-5-3-24)18(25)23-10-6-13(21)17(19(26)27)14(22)7-10/h6-9H,2-5H2,1H3,(H,23,25)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDCKDGAHDBXFRK-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