General Information of the Compound
| Compound ID |
CP0453195
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| Compound Name |
(E)-3-(4-tert-Butyl-phenyl)-N-(3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-acrylamide
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| Structure |
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| Formula |
C21H22N2O3
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| Molecular Weight |
350.418
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| Canonical SMILES |
CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCC(=O)Nc3c2)cc1
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| InChI |
InChI=1S/C21H22N2O3/c1-21(2,3)15-7-4-14(5-8-15)6-11-19(24)22-16-9-10-18-17(12-16)23-20(25)13-26-18/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25)/b11-6+
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| InChIKey |
GHIZHELATIBLRU-IZZDOVSWSA-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