General Information of the Compound
| Compound ID |
CP0283450
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| Compound Name |
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-(3,5-dimethylpiperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C27H33NO4
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| Molecular Weight |
435.564
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| Canonical SMILES |
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N2CC(C)CC(C)C2)cc1
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| InChI |
InChI=1S/C27H33NO4/c1-19-14-20(2)18-28(17-19)27(29)13-12-25-22(15-24(31-4)16-26(25)32-5)9-6-21-7-10-23(30-3)11-8-21/h6-13,15-16,19-20H,14,17-18H2,1-5H3/b9-6+,13-12+
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| InChIKey |
PHVKEPWPEVNNRD-UXKPLKHMSA-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