General Information of the Compound
| Compound ID |
CP0450491
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| Compound Name |
(2E,6E)-2-[(3,5-dimethoxyphenyl)methylidene]-6-[(3-hydroxy-4-methoxyphenyl)methylidene]cyclohexan-1-one
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| Structure |
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| Formula |
C23H24O5
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| Molecular Weight |
380.44
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| Canonical SMILES |
COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(OC)c(O)c3)C2=O)c1
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| InChI |
InChI=1S/C23H24O5/c1-26-19-11-16(12-20(14-19)27-2)10-18-6-4-5-17(23(18)25)9-15-7-8-22(28-3)21(24)13-15/h7-14,24H,4-6H2,1-3H3/b17-9+,18-10+
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| InChIKey |
CNMLPAQHCYHPBA-BEQMOXJMSA-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