General Information of the Compound
| Compound ID |
CP0456607
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| Compound Name |
1-[4-(2,2-dimethylpropanoyl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one
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| Structure |
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| Formula |
C21H27NO3
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| Molecular Weight |
341.451
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| Canonical SMILES |
CC(C)(C)C(=O)c1coc(n1)C(=O)CCCCCCc1ccccc1
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| InChI |
InChI=1S/C21H27NO3/c1-21(2,3)19(24)17-15-25-20(22-17)18(23)14-10-5-4-7-11-16-12-8-6-9-13-16/h6,8-9,12-13,15H,4-5,7,10-11,14H2,1-3H3
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| InChIKey |
PQIOTWOTEJVXGA-UHFFFAOYSA-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