General Information of the Compound
| Compound ID |
CP0488937
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| Compound Name |
2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-(4-methylsulfanyl-phenoxy)-3-phenyl-butyric acid methyl ester
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| Structure |
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| Formula |
C24H26N2O6S
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| Molecular Weight |
470.547
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| Canonical SMILES |
COC(=O)C(Oc1nc(OC)cc(OC)n1)C(C)(Oc1ccc(SC)cc1)c1ccccc1
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| InChI |
InChI=1S/C24H26N2O6S/c1-24(16-9-7-6-8-10-16,32-17-11-13-18(33-5)14-12-17)21(22(27)30-4)31-23-25-19(28-2)15-20(26-23)29-3/h6-15,21H,1-5H3
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| InChIKey |
RDRXGODJFLFYPJ-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