General Information of the Compound
| Compound ID |
CP0448931
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phenyl)-4-(4-methyl-benzyl)-5H-furan-2-one
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| Structure |
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| Formula |
C26H22O6
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| Molecular Weight |
430.456
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| Canonical SMILES |
COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(C)cc1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H22O6/c1-16-3-5-17(6-4-16)13-21-24(18-7-12-22-23(14-18)31-15-30-22)25(27)32-26(21,28)19-8-10-20(29-2)11-9-19/h3-12,14,28H,13,15H2,1-2H3
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| InChIKey |
SGMHXYMWOLAIMX-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