General Information of the Compound
| Compound ID |
CP0420980
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| Compound Name |
N-(1-oxo-3H-2-benzofuran-5-yl)-2-[3-[(E)-3-phenylprop-2-enoyl]phenoxy]acetamide
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| Structure |
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| Formula |
C25H19NO5
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| Molecular Weight |
413.429
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| Canonical SMILES |
O=C(COc1cccc(c1)C(=O)\C=C\c1ccccc1)Nc1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C25H19NO5/c27-23(12-9-17-5-2-1-3-6-17)18-7-4-8-21(14-18)30-16-24(28)26-20-10-11-22-19(13-20)15-31-25(22)29/h1-14H,15-16H2,(H,26,28)/b12-9+
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| InChIKey |
JUMOSJFJWDXNTR-FMIVXFBMSA-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2