General Information of the Compound
| Compound ID |
CP0471898
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| Compound Name |
N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide
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| Structure |
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| Formula |
C19H14ClF4N5O2
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| Molecular Weight |
455.799
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| Canonical SMILES |
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F
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| InChI |
InChI=1S/C19H14ClF4N5O2/c1-18(17(19(22,23)24)31-8-14(26)29-18)11-5-10(2-3-13(11)21)28-16(30)15-12(20)4-9(6-25)7-27-15/h2-5,7,17H,8H2,1H3,(H2,26,29)(H,28,30)/t17-,18-/m1/s1
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| InChIKey |
YXZJAQWZKFLQLN-QZTJIDSGSA-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