General Information of the Compound
| Compound ID |
CP0476139
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| Compound Name |
[3-methyl-4-[2-(8-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]phenyl] acetate
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| Structure |
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| Formula |
C20H21NO4
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| Molecular Weight |
339.391
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| Canonical SMILES |
CC(=O)Oc1ccc(CCc2cc(C)c3OCC(=O)Nc3c2)c(C)c1
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| InChI |
InChI=1S/C20H21NO4/c1-12-9-17(25-14(3)22)7-6-16(12)5-4-15-8-13(2)20-18(10-15)21-19(23)11-24-20/h6-10H,4-5,11H2,1-3H3,(H,21,23)
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| InChIKey |
ZOXMWKBCAIIICP-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