General Information of the Compound
| Compound ID |
CP0422212
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| Compound Name |
6-(3-Cyano-5-fluoro-phenyl)-4,4-dimethyl-1,4-dihydro-2H-benzo[d][1,3]oxazine-2-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C20H19FN2O3
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| Molecular Weight |
354.381
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| Canonical SMILES |
CCOC(=O)C1Nc2ccc(cc2C(C)(C)O1)-c1cc(F)cc(c1)C#N
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| InChI |
InChI=1S/C20H19FN2O3/c1-4-25-19(24)18-23-17-6-5-13(10-16(17)20(2,3)26-18)14-7-12(11-22)8-15(21)9-14/h5-10,18,23H,4H2,1-3H3
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| InChIKey |
SWLNWRPERFZMQP-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