General Information of the Compound
| Compound ID |
CP0535258
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| Compound Name |
4-(Hydroxy-{1-[2-(3,4,5-trimethoxy-phenyl)-benzofuran-5-yl]-ethyl}-carbamoyl)-butyric acid methyl ester
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| Structure |
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| Formula |
C25H29NO8
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| Molecular Weight |
471.506
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| Canonical SMILES |
COC(=O)CCCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C25H29NO8/c1-15(26(29)23(27)7-6-8-24(28)32-4)16-9-10-19-17(11-16)12-20(34-19)18-13-21(30-2)25(33-5)22(14-18)31-3/h9-15,29H,6-8H2,1-5H3
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| InChIKey |
VOBNSUPZKJYZOJ-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