General Information of the Compound
| Compound ID |
CP0462461
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| Compound Name |
(3E,5E)-1-benzyl-3,5-bis(3-hydroxy-4-methoxy-benzylidene)-4-piperidone
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| Structure |
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| Formula |
C28H27NO5
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| Molecular Weight |
457.526
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| Canonical SMILES |
COc1ccc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3ccc(OC)c(O)c3)C2=O)cc1O
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| InChI |
InChI=1S/C28H27NO5/c1-33-26-10-8-20(14-24(26)30)12-22-17-29(16-19-6-4-3-5-7-19)18-23(28(22)32)13-21-9-11-27(34-2)25(31)15-21/h3-15,30-31H,16-18H2,1-2H3/b22-12+,23-13+
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| InChIKey |
QQALCZKCRPGYCZ-FWSOMWAYSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8