General Information of the Compound
| Compound ID |
CP0392698
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N2O3S
|
||||||||||||||||||
| Molecular Weight |
434.561
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCc1cn(c2ccc(OCc3ccccc3)cc12)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N2O3S/c1-26(2)16-15-21-18-27(31(28,29)23-11-7-4-8-12-23)25-14-13-22(17-24(21)25)30-19-20-9-5-3-6-10-20/h3-14,17-18H,15-16,19H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PLQFOHQKYPNKGC-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