General Information of the Compound
| Compound ID |
CP0534397
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C22H27N3O2S
|
||||||||||||||||||
| Molecular Weight |
397.544
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCOc1ccc(CNC(=O)CSc2cn(C)c3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N3O2S/c1-24(2)12-13-27-18-10-8-17(9-11-18)14-23-22(26)16-28-21-15-25(3)20-7-5-4-6-19(20)21/h4-11,15H,12-14,16H2,1-3H3,(H,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATJLFWUPTQUWHM-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 | |||||||||||||||||||
| 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