General Information of the Compound
| Compound ID |
CP0553635
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| Compound Name |
N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C21H20F3N5O2
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| Molecular Weight |
431.418
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| Canonical SMILES |
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)COC(CF)(CF)C(N)=N1)C#N
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| InChI |
InChI=1S/C21H20F3N5O2/c1-12-5-13(7-25)8-27-17(12)18(30)28-14-3-4-16(24)15(6-14)20(2)11-31-21(9-22,10-23)19(26)29-20/h3-6,8H,9-11H2,1-2H3,(H2,26,29)(H,28,30)/t20-/m0/s1
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| InChIKey |
NAKZTXHQHCNVHW-FQEVSTJZSA-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