General Information of the Compound
Compound ID |
CP0211448
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Compound Name |
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N,N-dihexylprop-2-enamide
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Structure |
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Formula |
C32H45NO4
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Molecular Weight |
507.715
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Canonical SMILES |
CCCCCCN(CCCCCC)C(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c1ccc(OC)cc1
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InChI |
InChI=1S/C32H45NO4/c1-6-8-10-12-22-33(23-13-11-9-7-2)32(34)21-20-30-27(24-29(36-4)25-31(30)37-5)17-14-26-15-18-28(35-3)19-16-26/h14-21,24-25H,6-13,22-23H2,1-5H3/b17-14+,21-20+
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InChIKey |
LQJZREHSTLSKHX-LXBJNYIASA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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