General Information of the Compound
| Compound ID |
CP0179938
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| Compound Name |
(4aR,6S,8aS)-8a-(3-fluoropyridin-2-yl)-6-methyl-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 |
C13H16FN3OS
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| Molecular Weight |
281.356
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| Canonical SMILES |
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ncccc1F
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| InChI |
InChI=1S/C13H16FN3OS/c1-8-5-9-6-19-12(15)17-13(9,7-18-8)11-10(14)3-2-4-16-11/h2-4,8-9H,5-7H2,1H3,(H2,15,17)/t8-,9-,13-/m0/s1
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| InChIKey |
KMVBXMWOGDYHIS-RVBZMBCESA-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