General Information of the Compound
| Compound ID |
CP0522001
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-4-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-5-hydroxy-5-(4-methoxy-phenyl)-5H-furan-2-one
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| Structure |
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| Formula |
C27H22O8
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| Molecular Weight |
474.465
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| Canonical SMILES |
COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc2OCCOc2c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H22O8/c1-30-19-6-4-18(5-7-19)27(29)20(12-16-2-8-21-23(13-16)32-11-10-31-21)25(26(28)35-27)17-3-9-22-24(14-17)34-15-33-22/h2-9,13-14,29H,10-12,15H2,1H3
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| InChIKey |
LVGJFPBFENMSKI-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