General Information of the Compound
| Compound ID |
CP0396129
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(6-acetyl-1-methylindol-3-yl)-2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4-methylphenyl)sulfonylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26N2O7S
|
||||||||||||||||||
| Molecular Weight |
534.59
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1cn(C)c2cc(ccc12)C(C)=O)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26N2O7S/c1-16-5-10-26(25(11-16)35-4)38(33,34)29-28(32)27(19-7-9-23-24(13-19)37-15-36-23)21-14-30(3)22-12-18(17(2)31)6-8-20(21)22/h5-14,27H,15H2,1-4H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZXSBLFBQTHAAHA-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
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor