General Information of the Compound
| Compound ID |
CP0496394
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| Compound Name |
(E)-N-[1-((S)-4-Ethyl-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-ethyl]-3-(2-fluoro-phenyl)-acrylamide
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| Structure |
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| Formula |
C21H23FN2O2
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| Molecular Weight |
354.425
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| Canonical SMILES |
CCN1CCOc2ccc(cc12)[C@H](C)NC(=O)\C=C\c1ccccc1F
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| InChI |
InChI=1S/C21H23FN2O2/c1-3-24-12-13-26-20-10-8-17(14-19(20)24)15(2)23-21(25)11-9-16-6-4-5-7-18(16)22/h4-11,14-15H,3,12-13H2,1-2H3,(H,23,25)/b11-9+/t15-/m0/s1
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| InChIKey |
WPIUCHABIRMTJY-GDXASINISA-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