General Information of the Compound
| Compound ID |
CP0489134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methyl-3-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-N-pyridin-2-ylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21N3O3S2
|
||||||||||||||||||
| Molecular Weight |
475.595
|
||||||||||||||||||
| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cc(ccc1C)S(=O)(=O)Nc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21N3O3S2/c1-16-6-8-19(33(30,31)27-24-5-3-4-12-26-24)14-21(16)23-11-10-22(32-23)17-7-9-20-18(13-17)15-28(2)25(20)29/h3-14H,15H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTSCFAJKTZTBNF-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