General Information of the Compound
| Compound ID |
CP0540590
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| Compound Name |
(4aR,6S,8aS)-6-methyl-8a-thiophen-3-yl-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 |
C12H16N2OS2
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| Molecular Weight |
268.407
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| Canonical SMILES |
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccsc1
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| InChI |
InChI=1S/C12H16N2OS2/c1-8-4-10-6-17-11(13)14-12(10,7-15-8)9-2-3-16-5-9/h2-3,5,8,10H,4,6-7H2,1H3,(H2,13,14)/t8-,10-,12+/m0/s1
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| InChIKey |
MBYUXUMDDRLYIE-PTOFAABTSA-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