General Information of the Compound
| Compound ID |
CP0496465
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-4-ethyl-5-hydroxy-5-(4-methoxy-phenyl)-5H-furan-2-one
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| Structure |
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| Formula |
C20H18O6
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| Molecular Weight |
354.358
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| Canonical SMILES |
CCC1=C(C(=O)OC1(O)c1ccc(OC)cc1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C20H18O6/c1-3-15-18(12-4-9-16-17(10-12)25-11-24-16)19(21)26-20(15,22)13-5-7-14(23-2)8-6-13/h4-10,22H,3,11H2,1-2H3
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| InChIKey |
ZIQBXJIFQHHELM-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