General Information of the Compound
| Compound ID |
CP0454351
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-Methoxy-5,7-dihydro-furo[3,4-d]pyrimidin-2-yloxy)-3-[2-(4-methoxy-phenyl)-ethoxy]-3,3-di-p-tolyl-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H34N2O7
|
||||||||||||||||||
| Molecular Weight |
570.642
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CCOC(C(Oc2nc3COCc3c(OC)n2)C(O)=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H34N2O7/c1-21-5-11-24(12-6-21)33(25-13-7-22(2)8-14-25,41-18-17-23-9-15-26(38-3)16-10-23)29(31(36)37)42-32-34-28-20-40-19-27(28)30(35-32)39-4/h5-16,29H,17-20H2,1-4H3,(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZPUDTSXRNOQNK-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