General Information of the Compound
| Compound ID |
CP0569978
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| Compound Name |
N-[6-[(3R,6S)-5-amino-6-(difluoromethyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoropyridin-2-yl]-5-cyano-3-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C20H19F3N6O3S
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| Molecular Weight |
480.472
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| Canonical SMILES |
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1)C#N
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| InChI |
InChI=1S/C20H19F3N6O3S/c1-10-6-11(7-24)8-26-14(10)16(30)28-13-5-4-12(21)15(27-13)19(2)9-33(31,32)20(3,17(22)23)18(25)29-19/h4-6,8,17H,9H2,1-3H3,(H2,25,29)(H,27,28,30)/t19-,20+/m0/s1
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| InChIKey |
IWBMTMOXRFICLO-VQTJNVASSA-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