General Information of the Compound
| Compound ID |
CP0393874
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| Compound Name |
2-tert-Butyl-6-methyl-4-[2-(3-methyl-isoxazol-5-yl)-vinyl]-phenol
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| Structure |
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| Formula |
C17H21NO2
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| Molecular Weight |
271.36
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| Canonical SMILES |
Cc1cc(\C=C\c2cc(C)c(O)c(c2)C(C)(C)C)on1
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| InChI |
InChI=1S/C17H21NO2/c1-11-8-13(6-7-14-9-12(2)18-20-14)10-15(16(11)19)17(3,4)5/h6-10,19H,1-5H3/b7-6+
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| InChIKey |
UNFRDNMAKVCICR-VOTSOKGWSA-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