General Information of the Compound
| Compound ID |
CP0420933
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-(7-methoxy-benzo[1,3]dioxol-5-ylmethyl)-5-(4-methoxy-phenyl)-5H-furan-2-one
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| Structure |
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| Formula |
C27H22O9
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| Molecular Weight |
490.464
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| Canonical SMILES |
COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc2OCOc2c(OC)c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H22O9/c1-30-18-6-4-17(5-7-18)27(29)19(9-15-10-22(31-2)25-23(11-15)34-14-35-25)24(26(28)36-27)16-3-8-20-21(12-16)33-13-32-20/h3-8,10-12,29H,9,13-14H2,1-2H3
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| InChIKey |
DFIYAVVTQXZWPF-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