General Information of the Compound
| Compound ID |
CP0490197
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-benzyloxy-phenyl)-5-hydroxy-5H-furan-2-one
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| Structure |
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| Formula |
C31H24O6
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| Molecular Weight |
492.527
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| Canonical SMILES |
OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C31H24O6/c32-30-29(23-11-16-27-28(18-23)36-20-35-27)26(17-21-7-3-1-4-8-21)31(33,37-30)24-12-14-25(15-13-24)34-19-22-9-5-2-6-10-22/h1-16,18,33H,17,19-20H2
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| InChIKey |
JPQNTLPMEWVANT-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