General Information of the Compound
| Compound ID |
CP0531946
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| Compound Name |
4-Benzyl-5-hydroxy-5-(4-methoxy-phenyl)-3-(3,4,5-trimethoxy-phenyl)-5H-furan-2-one
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| Structure |
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| Formula |
C27H26O7
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| Molecular Weight |
462.498
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| Canonical SMILES |
COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C27H26O7/c1-30-20-12-10-19(11-13-20)27(29)21(14-17-8-6-5-7-9-17)24(26(28)34-27)18-15-22(31-2)25(33-4)23(16-18)32-3/h5-13,15-16,29H,14H2,1-4H3
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| InChIKey |
DNBPCNHUCLIRKO-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