General Information of the Compound
| Compound ID |
CP0578630
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| Compound Name |
N-[3-[(3R,6R)-5-amino-6-(fluoromethyl)-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 |
C19H21F2N5O4S
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| Molecular Weight |
453.471
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| Canonical SMILES |
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N1
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| InChI |
InChI=1S/C19H21F2N5O4S/c1-18(10-31(28,29)19(2,9-20)17(22)26-18)12-6-11(4-5-13(12)21)25-16(27)14-7-24-15(30-3)8-23-14/h4-8H,9-10H2,1-3H3,(H2,22,26)(H,25,27)/t18-,19-/m0/s1
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| InChIKey |
DDJPZDFVKYYYNV-OALUTQOASA-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