General Information of the Compound
| Compound ID |
CP0467248
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| Compound Name |
(3S,5S)-N-benzyl-5-(2-methylsulfanylethyl)-6-oxomorpholine-3-carboxamide
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| Structure |
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| Formula |
C15H20N2O3S
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| Molecular Weight |
308.403
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| Canonical SMILES |
CSCC[C@@H]1N[C@@H](COC1=O)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C15H20N2O3S/c1-21-8-7-12-15(19)20-10-13(17-12)14(18)16-9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3,(H,16,18)/t12-,13-/m0/s1
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| InChIKey |
SZDGKRGYPPZBRE-STQMWFEESA-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