General Information of the Compound
| Compound ID |
CP0689440
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| Compound Name |
N-{3-[(2R,3R)-5-Amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
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| Structure |
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| Formula |
C19H15F4N5O2
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| Molecular Weight |
421.354
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| Canonical SMILES |
C[C@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)CO[C@H]1C(F)(F)F
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| InChI |
InChI=1S/C19H15F4N5O2/c1-18(17(19(21,22)23)30-9-15(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(7-24)8-26-14/h2-6,8,17H,9H2,1H3,(H2,25,28)(H,27,29)/t17-,18-/m1/s1
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| InChIKey |
YCNKUIFVRZSRNL-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