General Information of the Compound
| Compound ID |
CP0507418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28ClN3O3S2
|
||||||||||||||||||
| Molecular Weight |
518.104
|
||||||||||||||||||
| Canonical SMILES |
CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1sc2ccc(Cl)cc2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28ClN3O3S2/c1-16-20-14-17(26)8-9-23(20)33-25(16)34(31,32)29-15-21(19-6-4-5-7-22(19)29)24(30)28(3)18-10-12-27(2)13-11-18/h4-9,14,18,21H,10-13,15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSEUEKFQEMCCOC-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