General Information of the Compound
| Compound ID |
CP0475873
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| Compound Name |
N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]-5-bromopyridine-2-carboxamide
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| Structure |
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| Formula |
C17H13BrF4N4O2
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| Molecular Weight |
461.213
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| Canonical SMILES |
NC1=NC(COC1)(C(F)F)c1c(F)ccc(NC(=O)c2ccc(Br)cn2)c1F
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| InChI |
InChI=1S/C17H13BrF4N4O2/c18-8-1-3-11(24-5-8)15(27)25-10-4-2-9(19)13(14(10)20)17(16(21)22)7-28-6-12(23)26-17/h1-5,16H,6-7H2,(H2,23,26)(H,25,27)
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| InChIKey |
VIYMANLLXZUNSR-UHFFFAOYSA-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