General Information of the Compound
| Compound ID |
CP0392713
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3,4-Dimethoxy-benzyloxy)-2-(4,6-dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H30N2O6
|
||||||||||||||||||
| Molecular Weight |
514.578
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(COC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H30N2O6/c1-20-17-21(2)32-29(31-20)38-27(28(33)34)30(23-11-7-5-8-12-23,24-13-9-6-10-14-24)37-19-22-15-16-25(35-3)26(18-22)36-4/h5-18,27H,19H2,1-4H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBPQWNOPLSRSMS-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