General Information of the Compound
| Compound ID |
CP0506531
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-[2-(4-hydroxy-phenyl)-ethoxy]-3,3-diphenyl-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28N2O5
|
||||||||||||||||||
| Molecular Weight |
484.552
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(O)cc2)(c2ccccc2)c2ccccc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28N2O5/c1-20-19-21(2)31-28(30-20)36-26(27(33)34)29(23-9-5-3-6-10-23,24-11-7-4-8-12-24)35-18-17-22-13-15-25(32)16-14-22/h3-16,19,26,32H,17-18H2,1-2H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWXMUZZYWKEWJY-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