General Information of the Compound
| Compound ID |
CP0578252
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| Compound Name |
N-[3-[(3R,6S)-5-amino-6-(difluoromethyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
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| Structure |
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| Formula |
C19H20F3N5O4S
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| Molecular Weight |
471.461
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| Canonical SMILES |
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1
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| InChI |
InChI=1S/C19H20F3N5O4S/c1-18(9-32(29,30)19(2,16(21)22)17(23)27-18)11-6-10(4-5-12(11)20)26-15(28)13-7-25-14(31-3)8-24-13/h4-8,16H,9H2,1-3H3,(H2,23,27)(H,26,28)/t18-,19+/m0/s1
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| InChIKey |
YMJXPRAOJWHLBN-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