General Information of the Compound
| Compound ID |
CP0350493
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| Compound Name |
(3aR,5R,6S,7aR)-5-(hydroxymethyl)-2-(propylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol
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| Structure |
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| Formula |
C10H18N2O3S
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| Molecular Weight |
246.332
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| Canonical SMILES |
CCCNC1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1
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| InChI |
InChI=1S/C10H18N2O3S/c1-2-3-11-10-12-6-4-7(14)8(5-13)15-9(6)16-10/h6-9,13-14H,2-5H2,1H3,(H,11,12)/t6-,7+,8-,9-/m1/s1
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| InChIKey |
CMTNETCUCXXJBO-BZNPZCIMSA-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