General Information of the Compound
| Compound ID |
CP0463045
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| Compound Name |
2,6-Di-tert-butyl-4-[2-(5-methyl-isoxazol-3-yl)-vinyl]-phenol
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| Structure |
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| Formula |
C20H27NO2
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| Molecular Weight |
313.441
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| Canonical SMILES |
Cc1cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)no1
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| InChI |
InChI=1S/C20H27NO2/c1-13-10-15(21-23-13)9-8-14-11-16(19(2,3)4)18(22)17(12-14)20(5,6)7/h8-12,22H,1-7H3/b9-8+
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| InChIKey |
ATCDQXHPIGQADP-CMDGGOBGSA-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