General Information of the Compound
| Compound ID |
CP0259378
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| Compound Name |
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-(2-ethylpiperidin-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 |
CCC1CCCCN1C(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H33NO4/c1-5-22-8-6-7-17-28(22)27(29)16-15-25-21(18-24(31-3)19-26(25)32-4)12-9-20-10-13-23(30-2)14-11-20/h9-16,18-19,22H,5-8,17H2,1-4H3/b12-9+,16-15+
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| InChIKey |
CALFSGSUDFWDAW-JDHQLRNLSA-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