General Information of the Compound
| Compound ID |
CP0406386
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-hydroxy-5-(4-isopropoxy-phenyl)-5H-furan-2-one
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| Structure |
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| Formula |
C27H24O6
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| Molecular Weight |
444.483
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| Canonical SMILES |
CC(C)Oc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H24O6/c1-17(2)32-21-11-9-20(10-12-21)27(29)22(14-18-6-4-3-5-7-18)25(26(28)33-27)19-8-13-23-24(15-19)31-16-30-23/h3-13,15,17,29H,14,16H2,1-2H3
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| InChIKey |
XTSAGPKOAVSKDU-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