General Information of the Compound
| Compound ID |
CP0574874
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]pyridin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H18F3N3O4S2
|
||||||||||||||||||
| Molecular Weight |
545.564
|
||||||||||||||||||
| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H18F3N3O4S2/c1-31-14-17-9-15(5-6-21(17)24(31)32)22-7-8-23(36-22)16-10-18(13-29-12-16)30-37(33,34)20-4-2-3-19(11-20)35-25(26,27)28/h2-13,30H,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IRGLBGMGYRRFOR-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