General Information of the Compound
| Compound ID |
CP0548498
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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-fluoropyridine-2-carboxamide
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| Structure |
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| Formula |
C18H16F4N4O2
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| Molecular Weight |
396.344
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| Canonical SMILES |
C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
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| InChI |
InChI=1S/C18H16F4N4O2/c1-18(15(22)14(7-19)28-17(23)26-18)11-6-10(3-4-12(11)21)25-16(27)13-5-2-9(20)8-24-13/h2-6,8,14-15H,7H2,1H3,(H2,23,26)(H,25,27)/t14-,15+,18-/m1/s1
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| InChIKey |
BFEQDIQTMANSEQ-RVKKMQEKSA-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