General Information of the Compound
| Compound ID |
CP0435987
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| Compound Name |
3-(3,4-Dimethoxy-phenoxy)-2-(4,6-dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-propionic acid
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| Structure |
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| Formula |
C29H28N2O6
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| Molecular Weight |
500.551
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| Canonical SMILES |
COc1ccc(OC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC
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| InChI |
InChI=1S/C29H28N2O6/c1-19-17-20(2)31-28(30-19)36-26(27(32)33)29(21-11-7-5-8-12-21,22-13-9-6-10-14-22)37-23-15-16-24(34-3)25(18-23)35-4/h5-18,26H,1-4H3,(H,32,33)
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| InChIKey |
GHIWIAMAJCWXDD-UHFFFAOYSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor