General Information of the Compound
| Compound ID |
CP0262950
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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]-5-chloropyridine-2-carboxamide
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| Structure |
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| Formula |
C18H15ClF4N4O2
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| Molecular Weight |
430.789
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| Canonical SMILES |
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
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| InChI |
InChI=1S/C18H15ClF4N4O2/c1-17(16(18(21,22)23)29-8-14(24)27-17)11-6-10(3-4-12(11)20)26-15(28)13-5-2-9(19)7-25-13/h2-7,16H,8H2,1H3,(H2,24,27)(H,26,28)/t16-,17-/m1/s1
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| InChIKey |
KUEUDMYMTXDGEE-IAGOWNOFSA-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