General Information of the Compound
| Compound ID |
CP0078610
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| Compound Name |
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C26H31NO4
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| Molecular Weight |
421.537
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| Canonical SMILES |
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N2CCCC(C)C2)cc1
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| InChI |
InChI=1S/C26H31NO4/c1-19-6-5-15-27(18-19)26(28)14-13-24-21(16-23(30-3)17-25(24)31-4)10-7-20-8-11-22(29-2)12-9-20/h7-14,16-17,19H,5-6,15,18H2,1-4H3/b10-7+,14-13+
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| InChIKey |
ZPNDWRYYRUUXLA-CDITWBNYSA-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