General Information of the Compound
| Compound ID |
CP0487103
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| Compound Name |
(E)-3-(2-Fluoro-phenyl)-N-[1-((S)-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-ethyl]-acrylamide
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| Structure |
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| Formula |
C20H21FN2O2
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| Molecular Weight |
340.398
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| Canonical SMILES |
C[C@H](NC(=O)\C=C\c1ccccc1F)c1ccc2OCCN(C)c2c1
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| InChI |
InChI=1S/C20H21FN2O2/c1-14(16-7-9-19-18(13-16)23(2)11-12-25-19)22-20(24)10-8-15-5-3-4-6-17(15)21/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/b10-8+/t14-/m0/s1
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| InChIKey |
KWIXYFAAOLQNQB-PLWJUESGSA-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