General Information of the Compound
| Compound ID |
CP0437617
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmethyl-6-benzyloxy-5-methoxy-1H-indole-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H25NO8
|
||||||||||||||||||
| Molecular Weight |
551.551
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(c(C(O)=O)n(Cc3ccc4OCOc4c3)c2cc1OCc1ccccc1)-c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H25NO8/c1-36-26-13-22-23(14-29(26)37-16-19-5-3-2-4-6-19)33(15-20-7-9-24-27(11-20)40-17-38-24)31(32(34)35)30(22)21-8-10-25-28(12-21)41-18-39-25/h2-14H,15-18H2,1H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BOQQYCYLUTYLGS-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