General Information of the Compound
| Compound ID |
CP0514951
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| Compound Name |
2-[3-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,2-oxazol-5-yl]acetic acid
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| Structure |
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| Formula |
C21H27NO4
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| Molecular Weight |
357.45
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| Canonical SMILES |
CC(C)(C)c1cc(\C=C\c2cc(CC(O)=O)on2)cc(c1O)C(C)(C)C
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| InChI |
InChI=1S/C21H27NO4/c1-20(2,3)16-9-13(10-17(19(16)25)21(4,5)6)7-8-14-11-15(26-22-14)12-18(23)24/h7-11,25H,12H2,1-6H3,(H,23,24)/b8-7+
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| InChIKey |
XZXFQRKXJWLSBZ-BQYQJAHWSA-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