General Information of the Compound
| Compound ID |
CP0494555
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| Compound Name |
2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-[2-(3,4,5-trimethoxy-phenyl)-ethoxy]-propionic acid
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| Structure |
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| Formula |
C32H34N2O7
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| Molecular Weight |
558.631
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| Canonical SMILES |
COc1cc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC
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| InChI |
InChI=1S/C32H34N2O7/c1-21-18-22(2)34-31(33-21)41-29(30(35)36)32(24-12-8-6-9-13-24,25-14-10-7-11-15-25)40-17-16-23-19-26(37-3)28(39-5)27(20-23)38-4/h6-15,18-20,29H,16-17H2,1-5H3,(H,35,36)
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| InChIKey |
WZCUCQGZYXGPHF-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