General Information of the Compound
| Compound ID |
CP0507644
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| Compound Name |
5-Hydroxy-4-(4-methoxy-benzyl)-5-(4-methoxy-phenyl)-3-p-tolyl-5H-furan-2-one
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| Structure |
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| Formula |
C26H24O5
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| Molecular Weight |
416.473
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| Canonical SMILES |
COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C26H24O5/c1-17-4-8-19(9-5-17)24-23(16-18-6-12-21(29-2)13-7-18)26(28,31-25(24)27)20-10-14-22(30-3)15-11-20/h4-15,28H,16H2,1-3H3
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| InChIKey |
OKZRQVZTVLKRLK-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