General Information of the Compound
| Compound ID |
CP0168905
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| Compound Name |
3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-dihydro-furan-2-one
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| Structure |
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| Formula |
C19H26O3
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| Molecular Weight |
302.414
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| Canonical SMILES |
CC(C)(C)c1cc(\C=C2/CCOC2=O)cc(c1O)C(C)(C)C
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| InChI |
InChI=1S/C19H26O3/c1-18(2,3)14-10-12(9-13-7-8-22-17(13)21)11-15(16(14)20)19(4,5)6/h9-11,20H,7-8H2,1-6H3/b13-9+
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| InChIKey |
DFPYHQJPGCODSB-UKTHLTGXSA-N
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| CAS |
83677-24-1
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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