General Information of the Compound
| Compound ID |
CP0097509
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| Compound Name |
(4aR,6S,8aS)-8a-(2-methoxyphenyl)-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 |
C15H20N2O2S
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| Molecular Weight |
292.404
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| Canonical SMILES |
COc1ccccc1[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2
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| InChI |
InChI=1S/C15H20N2O2S/c1-10-7-11-8-20-14(16)17-15(11,9-19-10)12-5-3-4-6-13(12)18-2/h3-6,10-11H,7-9H2,1-2H3,(H2,16,17)/t10-,11-,15-/m0/s1
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| InChIKey |
SPCKMVYZWVCNSY-PGUXBMHVSA-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