General Information of the Compound
| Compound ID |
CP0124997
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide
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| Structure |
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| Formula |
C28H27NO8
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| Molecular Weight |
505.523
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| Canonical SMILES |
COc1cc(\C=C\C(=O)c2ccc(OCC(=O)NCc3ccc4OCOc4c3)cc2)cc(OC)c1OC
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| InChI |
InChI=1S/C28H27NO8/c1-32-25-12-18(13-26(33-2)28(25)34-3)4-10-22(30)20-6-8-21(9-7-20)35-16-27(31)29-15-19-5-11-23-24(14-19)37-17-36-23/h4-14H,15-17H2,1-3H3,(H,29,31)/b10-4+
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| InChIKey |
KMYOAEHYUXYIDS-ONNFQVAWSA-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