General Information of the Compound
| Compound ID |
CP0871053
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| Compound Name |
3-(4-(2-(benzyloxy)-5-chlorophenyl)-2-oxo-2,5-dihydrofuran-3-yl)benzoic acid
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| Structure |
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| Formula |
C24H17ClO5
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| Molecular Weight |
420.848
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| Canonical SMILES |
O=C1OCC(c2cc(Cl)ccc2OCc2ccccc2)=C1c1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C24H17ClO5/c25-18-9-10-21(29-13-15-5-2-1-3-6-15)19(12-18)20-14-30-24(28)22(20)16-7-4-8-17(11-16)23(26)27/h1-12H,13-14H2,(H,26,27)
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| InChIKey |
PDNMYVBWSATOME-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