General Information of the Compound
| Compound ID |
CP0514477
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| Compound Name |
4-Benzyl-3-(2,5-dimethoxy-phenyl)-5-hydroxy-5-(4-methoxy-phenyl)-5H-furan-2-one
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| Structure |
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| Formula |
C26H24O6
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| Molecular Weight |
432.472
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| Canonical SMILES |
COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1cc(OC)ccc1OC
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| InChI |
InChI=1S/C26H24O6/c1-29-19-11-9-18(10-12-19)26(28)22(15-17-7-5-4-6-8-17)24(25(27)32-26)21-16-20(30-2)13-14-23(21)31-3/h4-14,16,28H,15H2,1-3H3
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| InChIKey |
BDMQTGZMPJVDBO-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