General Information of the Compound
Compound ID |
CP0518116
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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-(difluoromethyl)pyrazine-2-carboxamide
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Structure |
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Formula |
C18H16F5N5O2
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Molecular Weight |
429.349
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Canonical SMILES |
C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F
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InChI |
InChI=1S/C18H16F5N5O2/c1-18(14(21)13(5-19)30-17(24)28-18)9-4-8(2-3-10(9)20)27-16(29)12-7-25-11(6-26-12)15(22)23/h2-4,6-7,13-15H,5H2,1H3,(H2,24,28)(H,27,29)/t13-,14+,18-/m1/s1
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InChIKey |
ASUXJKFZYWODQA-QWQRMKEZSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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