General Information of the Compound
| Compound ID |
CP0864550
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID24794864
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22N2O6S
|
||||||||||||||||||
| Molecular Weight |
454.504
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(C(=O)O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22N2O6S/c1-16-6-9-20(10-7-16)32(28,29)25-24-14-17-8-11-21(22(13-17)30-2)31-15-18-4-3-5-19(12-18)23(26)27/h3-14,25H,15H2,1-2H3,(H,26,27)/b24-14+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UAVYLFQZLLLTHO-ZVHZXABRSA-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