General Information of the Compound
| Compound ID |
CP0235900
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| Compound Name |
(2E,6E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-6-[(3,5-dimethoxyphenyl)methylidene]cyclohexan-1-one
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| Structure |
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| Formula |
C30H38O4
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| Molecular Weight |
462.63
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| Canonical SMILES |
COc1cc(OC)cc(\C=C2/CCC\C(=C/c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)C2=O)c1
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| InChI |
InChI=1S/C30H38O4/c1-29(2,3)25-16-20(17-26(28(25)32)30(4,5)6)13-22-11-9-10-21(27(22)31)12-19-14-23(33-7)18-24(15-19)34-8/h12-18,32H,9-11H2,1-8H3/b21-12+,22-13+
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| InChIKey |
SNYZTPOUJHDPAX-ADYPVIEZSA-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