General Information of the Compound
| Compound ID |
CP0541349
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-N-pyridin-2-ylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21N3O4S2
|
||||||||||||||||||
| Molecular Weight |
491.594
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1ccccn1)-c1ccc(s1)-c1ccc2C(=O)N(C)Cc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21N3O4S2/c1-28-15-18-13-16(6-8-19(18)25(28)29)21-10-11-22(33-21)17-7-9-20(32-2)23(14-17)34(30,31)27-24-5-3-4-12-26-24/h3-14H,15H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RMOZXABOXXIXKV-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