General Information of the Compound
| Compound ID |
CP0464951
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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-methoxypyrazine-2-carboxamide
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| Structure |
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| Formula |
C18H17F4N5O3
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| Molecular Weight |
427.358
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| Canonical SMILES |
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)(F)F
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| InChI |
InChI=1S/C18H17F4N5O3/c1-17(16(18(20,21)22)30-8-13(23)27-17)10-5-9(3-4-11(10)19)26-15(28)12-6-25-14(29-2)7-24-12/h3-7,16H,8H2,1-2H3,(H2,23,27)(H,26,28)/t16-,17-/m1/s1
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| InChIKey |
YWZJCVZZWKAFAZ-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