General Information of the Compound
| Compound ID |
CP0403590
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| Compound Name |
3,3-Bis-(4-chloro-phenyl)-3-[2-(3,4-dimethoxy-phenyl)-ethoxy]-2-(4-methoxy-6-methyl-pyrimidin-2-yloxy)-propionic acid
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| Structure |
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| Formula |
C31H30Cl2N2O7
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| Molecular Weight |
613.494
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| Canonical SMILES |
COc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(OC)c(OC)c2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1
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| InChI |
InChI=1S/C31H30Cl2N2O7/c1-19-17-27(40-4)35-30(34-19)42-28(29(36)37)31(21-6-10-23(32)11-7-21,22-8-12-24(33)13-9-22)41-16-15-20-5-14-25(38-2)26(18-20)39-3/h5-14,17-18,28H,15-16H2,1-4H3,(H,36,37)
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| InChIKey |
RIFDNBGSPYSLKK-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