General Information of the Compound
| Compound ID |
CP0234402
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| Compound Name |
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
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| Structure |
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| Formula |
C19H16F6N4O3
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| Molecular Weight |
462.35
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| Canonical SMILES |
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F
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| InChI |
InChI=1S/C19H16F6N4O3/c1-17(18(21,22)8-32-16(26)29-17)12-6-10(2-4-13(12)20)28-15(30)14-5-3-11(7-27-14)31-9-19(23,24)25/h2-7H,8-9H2,1H3,(H2,26,29)(H,28,30)/t17-/m1/s1
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| InChIKey |
QIDZVQSSIOGZDK-QGZVFWFLSA-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