General Information of the Compound
| Compound ID |
CP0425307
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(4-methylsulfanyl-phenyl)-5H-furan-2-one
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| Structure |
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| Formula |
C25H20O5S
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| Molecular Weight |
432.497
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| Canonical SMILES |
CSc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H20O5S/c1-31-19-10-8-18(9-11-19)25(27)20(13-16-5-3-2-4-6-16)23(24(26)30-25)17-7-12-21-22(14-17)29-15-28-21/h2-12,14,27H,13,15H2,1H3
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| InChIKey |
BPTJMXBDLHQLJL-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