General Information of the Compound
| Compound ID |
CP0313510
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| Compound Name |
(4aR,6R,8aS)-6-(difluoromethyl)-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
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| Structure |
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| Formula |
C14H14F4N2OS
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| Molecular Weight |
334.338
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| Canonical SMILES |
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C(F)F)c1ccc(F)cc1F
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| InChI |
InChI=1S/C14H14F4N2OS/c15-8-1-2-9(10(16)4-8)14-6-21-11(12(17)18)3-7(14)5-22-13(19)20-14/h1-2,4,7,11-12H,3,5-6H2,(H2,19,20)/t7-,11+,14-/m0/s1
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| InChIKey |
JPLGMHYUAWBTII-OXSLBIJZSA-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