General Information of the Compound
| Compound ID |
CP0563997
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H17F6N3O3S2
|
||||||||||||||||||
| Molecular Weight |
597.562
|
||||||||||||||||||
| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H17F6N3O3S2/c1-35-13-16-6-14(2-3-21(16)24(35)36)22-4-5-23(39-22)15-7-19(12-33-11-15)34-40(37,38)20-9-17(25(27,28)29)8-18(10-20)26(30,31)32/h2-12,34H,13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJMTVKMHMNOLOT-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