General Information of the Compound
| Compound ID |
CP0380321
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17NO3S2
|
||||||||||||||||||
| Molecular Weight |
347.461
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17NO3S2/c1-11-3-6-13(7-4-11)22-17-10-14-12(5-8-16(14)19)9-15(17)18-23(2,20)21/h3-4,6-7,9-10,18H,5,8H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVVPCNMYPYKBKY-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