General Information of the Compound
| Compound ID |
CP0446257
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-[3-(dimethylamino)-1,2-benzoxazol-5-yl]morpholin-2-yl]oxy-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20F2N6O5S2
|
||||||||||||||||||
| Molecular Weight |
538.558
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1noc2ccc(cc12)C1NCCOC1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F2N6O5S2/c1-29(2)19-12-7-11(3-4-15(12)34-27-19)18-20(32-6-5-24-18)33-16-8-14(23)17(9-13(16)22)36(30,31)28-21-25-10-26-35-21/h3-4,7-10,18,20,24H,5-6H2,1-2H3,(H,25,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YWCJIHAXCJECKK-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