General Information of the Compound
| Compound ID |
CP0504799
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| Compound Name |
3,5-Bis-benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5H-furan-2-one
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| Structure |
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| Formula |
C25H18O7
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| Molecular Weight |
430.412
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| Canonical SMILES |
OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H18O7/c26-24-23(16-6-8-19-21(11-16)30-13-28-19)18(10-15-4-2-1-3-5-15)25(27,32-24)17-7-9-20-22(12-17)31-14-29-20/h1-9,11-12,27H,10,13-14H2
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| InChIKey |
XRNWLGYOIPZNLV-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