General Information of the Compound
| Compound ID |
CP0436701
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| Compound Name |
4-Benzyl-5-hydroxy-3-(7-methoxy-benzo[1,3]dioxol-5-yl)-5-(4-methoxy-3-methyl-phenyl)-5H-furan-2-one
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| Structure |
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| Formula |
C27H24O7
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| Molecular Weight |
460.482
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| Canonical SMILES |
COc1cc(cc2OCOc12)C1=C(Cc2ccccc2)C(O)(OC1=O)c1ccc(OC)c(C)c1
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| InChI |
InChI=1S/C27H24O7/c1-16-11-19(9-10-21(16)30-2)27(29)20(12-17-7-5-4-6-8-17)24(26(28)34-27)18-13-22(31-3)25-23(14-18)32-15-33-25/h4-11,13-14,29H,12,15H2,1-3H3
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| InChIKey |
PSZTVHNFWZCDLF-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