General Information of the Compound
| Compound ID |
CP0548266
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| Compound Name |
6-[(E)-2-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]ethenyl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C19H18FN5O
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| Molecular Weight |
351.385
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| Canonical SMILES |
C[C@]1(COCC(N)=N1)c1cc(N\C=C\c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C19H18FN5O/c1-19(12-26-11-18(22)25-19)16-8-15(4-5-17(16)20)23-7-6-14-3-2-13(9-21)10-24-14/h2-8,10,23H,11-12H2,1H3,(H2,22,25)/b7-6+/t19-/m0/s1
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| InChIKey |
NVOFJZVDBJHVHB-GHOSXJJBSA-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