General Information of the Compound
| Compound ID |
CP0556702
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| Compound Name |
N-[3-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
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| Structure |
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| Formula |
C18H18F3N5O3
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| Molecular Weight |
409.368
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| Canonical SMILES |
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)O[C@H](CF)[C@@H]1F
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| InChI |
InChI=1S/C18H18F3N5O3/c1-18(15(21)13(6-19)29-17(22)26-18)10-5-9(3-4-11(10)20)25-16(27)12-7-24-14(28-2)8-23-12/h3-5,7-8,13,15H,6H2,1-2H3,(H2,22,26)(H,25,27)/t13-,15+,18-/m1/s1
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| InChIKey |
QVFZVZFFEJQDAB-QIIPPGSGSA-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