General Information of the Compound
| Compound ID |
CP0528126
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| Compound Name |
N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
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| Structure |
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| Formula |
C19H19F3N4O2S
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| Molecular Weight |
424.448
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| Canonical SMILES |
C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F
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| InChI |
InChI=1S/C19H19F3N4O2S/c1-10-16(22)19(2,26-18(23)29-10)13-7-11(3-5-14(13)21)25-17(27)15-6-4-12(8-24-15)28-9-20/h3-8,10,16H,9H2,1-2H3,(H2,23,26)(H,25,27)/t10-,16+,19-/m1/s1
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| InChIKey |
ISMPQYNARQTPQQ-ULMSCDGUSA-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