General Information of the Compound
| Compound ID |
CP0250168
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| Compound Name |
(2E,6E)-2-[(3,4-dihydroxyphenyl)methylidene]-6-[(3,5-dimethoxyphenyl)methylidene]cyclohexan-1-one
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| Structure |
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| Formula |
C22H22O5
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| Molecular Weight |
366.413
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| Canonical SMILES |
COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(O)c(O)c3)C2=O)c1
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| InChI |
InChI=1S/C22H22O5/c1-26-18-10-15(11-19(13-18)27-2)9-17-5-3-4-16(22(17)25)8-14-6-7-20(23)21(24)12-14/h6-13,23-24H,3-5H2,1-2H3/b16-8+,17-9+
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| InChIKey |
NXLXNLATMMPUNC-GONBZBRSSA-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