General Information of the Compound
| Compound ID |
CP0427559
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| Compound Name |
N-[3-[(4S)-2-amino-6-(fluoromethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C20H17F2N5O2
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| Molecular Weight |
397.385
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| Canonical SMILES |
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1)C#N
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| InChI |
InChI=1S/C20H17F2N5O2/c1-11-5-12(9-23)10-25-17(11)18(28)26-13-3-4-16(22)15(6-13)20(2)7-14(8-21)29-19(24)27-20/h3-7,10H,8H2,1-2H3,(H2,24,27)(H,26,28)/t20-/m0/s1
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| InChIKey |
JJMGWWLDRBWVOL-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