General Information of the Compound
| Compound ID |
CP0201946
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| Compound Name |
N-(1-oxo-3H-2-benzofuran-5-yl)-2-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide
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| Structure |
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| Formula |
C28H25NO8
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| Molecular Weight |
503.507
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| Canonical SMILES |
COc1cc(\C=C\C(=O)c2cccc(OCC(=O)Nc3ccc4C(=O)OCc4c3)c2)cc(OC)c1OC
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| InChI |
InChI=1S/C28H25NO8/c1-33-24-11-17(12-25(34-2)27(24)35-3)7-10-23(30)18-5-4-6-21(14-18)36-16-26(31)29-20-8-9-22-19(13-20)15-37-28(22)32/h4-14H,15-16H2,1-3H3,(H,29,31)/b10-7+
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| InChIKey |
XCVSZUBQCQESAH-JXMROGBWSA-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2