General Information of the Compound
| Compound ID |
CP0374728
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| Compound Name |
4-(4-Benzo[1,3]dioxol-5-yl-3-benzyl-2-hydroxy-5-oxo-2,5-dihydro-furan-2-yl)-benzoic acid methyl ester
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| Structure |
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| Formula |
C26H20O7
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| Molecular Weight |
444.439
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| Canonical SMILES |
COC(=O)c1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H20O7/c1-30-24(27)17-7-10-19(11-8-17)26(29)20(13-16-5-3-2-4-6-16)23(25(28)33-26)18-9-12-21-22(14-18)32-15-31-21/h2-12,14,29H,13,15H2,1H3
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| InChIKey |
JDCWQSVRRACVNZ-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