General Information of the Compound
| Compound ID |
CP0383569
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| Compound Name |
(3E,5E)-1-methyl-3,5-bis[(2,3,4-trimethoxyphenyl)methylidene]piperidin-4-one
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| Structure |
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| Formula |
C26H31NO7
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| Molecular Weight |
469.534
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| Canonical SMILES |
COc1ccc(\C=C2/CN(C)C\C(=C/c3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC
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| InChI |
InChI=1S/C26H31NO7/c1-27-14-18(12-16-8-10-20(29-2)25(33-6)23(16)31-4)22(28)19(15-27)13-17-9-11-21(30-3)26(34-7)24(17)32-5/h8-13H,14-15H2,1-7H3/b18-12+,19-13+
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| InChIKey |
QIJNPXNDNGLJPA-KLCVKJMQSA-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