General Information of the Compound
| Compound ID |
CP0403818
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-(2,5-dimethoxyphenyl)sulfonyl-5-methoxyindol-3-yl]-N,N-dimethylethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N2O5S
|
||||||||||||||||||
| Molecular Weight |
418.515
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OC)c(c1)S(=O)(=O)n1cc(CCN(C)C)c2cc(OC)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N2O5S/c1-22(2)11-10-15-14-23(19-8-6-16(26-3)12-18(15)19)29(24,25)21-13-17(27-4)7-9-20(21)28-5/h6-9,12-14H,10-11H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPIKYOXOHSCLOQ-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