General Information of the Compound
| Compound ID |
CP0518299
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-5-methoxy-5-(4-methoxy-phenyl)-4-(3,4,5-trimethoxy-benzyl)-5H-furan-2-one
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| Structure |
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| Formula |
C29H28O9
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| Molecular Weight |
520.534
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| Canonical SMILES |
COc1ccc(cc1)C1(OC)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C29H28O9/c1-31-20-9-7-19(8-10-20)29(35-5)21(12-17-13-24(32-2)27(34-4)25(14-17)33-3)26(28(30)38-29)18-6-11-22-23(15-18)37-16-36-22/h6-11,13-15H,12,16H2,1-5H3
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| InChIKey |
KKXDITRWMCWOGM-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