General Information of the Compound
| Compound ID |
CP0496518
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Benzo[1,3]dioxol-5-yl-5-benzyloxy-3-(4-methoxy-phenyl)-1H-indole-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H23NO6
|
||||||||||||||||||
| Molecular Weight |
493.515
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1c(C(O)=O)n(-c2ccc3OCOc3c2)c2ccc(OCc3ccccc3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H23NO6/c1-34-22-10-7-20(8-11-22)28-24-16-23(35-17-19-5-3-2-4-6-19)12-13-25(24)31(29(28)30(32)33)21-9-14-26-27(15-21)37-18-36-26/h2-16H,17-18H2,1H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDYWAWOHWCVFHZ-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