General Information of the Compound
| Compound ID |
CP0114822
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| Compound Name |
N-[3-[(3R)-5-amino-3-(difluoromethyl)-6,6-bis(fluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C21H18F5N5O2
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| Molecular Weight |
467.398
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| Canonical SMILES |
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COC(CF)(CF)C(N)=N1)C(F)F)C#N
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| InChI |
InChI=1S/C21H18F5N5O2/c1-11-4-12(6-27)7-29-16(11)17(32)30-13-2-3-15(24)14(5-13)21(18(25)26)10-33-20(8-22,9-23)19(28)31-21/h2-5,7,18H,8-10H2,1H3,(H2,28,31)(H,30,32)/t21-/m0/s1
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| InChIKey |
YUZSDWFHQCTBLU-NRFANRHFSA-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