General Information of the Compound
| Compound ID |
CP0427562
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| Compound Name |
N-[3-[(4S)-2-amino-6-(fluoromethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide
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| Structure |
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| Formula |
C17H14F4N4O3
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| Molecular Weight |
398.316
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| Canonical SMILES |
C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F
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| InChI |
InChI=1S/C17H14F4N4O3/c1-17(5-9(6-18)28-16(22)25-17)10-4-8(2-3-11(10)19)23-14(26)12-7-27-15(24-12)13(20)21/h2-5,7,13H,6H2,1H3,(H2,22,25)(H,23,26)/t17-/m0/s1
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| InChIKey |
SCMVSVKVGVGMJP-KRWDZBQOSA-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