General Information of the Compound
| Compound ID |
CP0544062
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| Compound Name |
N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoropyridin-2-yl]-5-cyanopyridine-2-carboxamide
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| Structure |
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| Formula |
C19H19FN6O3S
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| Molecular Weight |
430.465
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| Canonical SMILES |
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C19H19FN6O3S/c1-18(2)17(22)26-19(3,10-30(18,28)29)15-12(20)5-7-14(24-15)25-16(27)13-6-4-11(8-21)9-23-13/h4-7,9H,10H2,1-3H3,(H2,22,26)(H,24,25,27)/t19-/m0/s1
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| InChIKey |
LTYYZTCFGRCEBL-IBGZPJMESA-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