General Information of the Compound
| Compound ID |
CP0080480
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| Compound Name |
(2E,6E)-2,6-bis[(3,5-dimethoxyphenyl)methylidene]cyclohexan-1-one
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| Structure |
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| Formula |
C24H26O5
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| Molecular Weight |
394.467
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| Canonical SMILES |
COc1cc(OC)cc(\C=C2/CCC\C(=C/c3cc(OC)cc(OC)c3)C2=O)c1
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| InChI |
InChI=1S/C24H26O5/c1-26-20-10-16(11-21(14-20)27-2)8-18-6-5-7-19(24(18)25)9-17-12-22(28-3)15-23(13-17)29-4/h8-15H,5-7H2,1-4H3/b18-8+,19-9+
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| InChIKey |
LCTMHSXNDBNPAF-GCBPPVMSSA-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: PT00922, Epidermal growth factor receptor
Protein ID: PT04367, Nuclear factor erythroid 2-related factor 2