General Information of the Compound
| Compound ID |
CP0427560
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| Compound Name |
N-[3-[(4S)-2-amino-6-(fluoromethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C18H16F3N5O3
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| Molecular Weight |
407.352
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| Canonical SMILES |
C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F
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| InChI |
InChI=1S/C18H16F3N5O3/c1-18(5-11(6-19)29-17(22)26-18)12-4-10(2-3-13(12)21)25-16(27)14-7-24-15(8-23-14)28-9-20/h2-5,7-8H,6,9H2,1H3,(H2,22,26)(H,25,27)/t18-/m0/s1
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| InChIKey |
RIZAKNLPEQHQEV-SFHVURJKSA-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