General Information of the Compound
| Compound ID |
CP0414808
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| Compound Name |
3-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-methoxy-phenyl)-5-oxo-2,5-dihydro-furan-3-ylmethyl]-benzoic acid
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| Structure |
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| Formula |
C26H20O8
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| Molecular Weight |
460.438
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| Canonical SMILES |
COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(c1)C(O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H20O8/c1-31-19-8-6-18(7-9-19)26(30)20(12-15-3-2-4-17(11-15)24(27)28)23(25(29)34-26)16-5-10-21-22(13-16)33-14-32-21/h2-11,13,30H,12,14H2,1H3,(H,27,28)
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| InChIKey |
SQJQXLIPEOMOPN-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