General Information of the Compound
| Compound ID |
CP0538933
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| Compound Name |
N-[3-[(2R,3R)-5-amino-3-cyclopropyl-2-fluoro-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
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| Structure |
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| Formula |
C19H19F2N5O3
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| Molecular Weight |
403.389
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| Canonical SMILES |
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CO[C@@H]1F)C1CC1
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| InChI |
InChI=1S/C19H19F2N5O3/c1-28-16-8-23-14(7-24-16)17(27)25-11-4-5-13(20)12(6-11)19(10-2-3-10)18(21)29-9-15(22)26-19/h4-8,10,18H,2-3,9H2,1H3,(H2,22,26)(H,25,27)/t18-,19+/m0/s1
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| InChIKey |
PXAKVDFZCBAGJB-RBUKOAKNSA-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