General Information of the Compound
| Compound ID |
CP0171211
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| Compound Name |
2-(4-Methoxy-phenyl)-6-morpholin-4-yl-thiopyran-4-one
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| Structure |
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| Formula |
C16H17NO3S
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| Molecular Weight |
303.383
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(=O)cc(s1)N1CCOCC1
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| InChI |
InChI=1S/C16H17NO3S/c1-19-14-4-2-12(3-5-14)15-10-13(18)11-16(21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3
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| InChIKey |
XQTRMYUJFYVIMG-UHFFFAOYSA-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