General Information of the Compound
| Compound ID |
CP0500450
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| Compound Name |
2-(4-tert-Butyl-phenyl)-6-morpholin-4-yl-thiopyran-4-one
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| Structure |
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| Formula |
C19H23NO2S
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| Molecular Weight |
329.465
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1cc(=O)cc(s1)N1CCOCC1
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| InChI |
InChI=1S/C19H23NO2S/c1-19(2,3)15-6-4-14(5-7-15)17-12-16(21)13-18(23-17)20-8-10-22-11-9-20/h4-7,12-13H,8-11H2,1-3H3
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| InChIKey |
MROJZDSJVHDFKF-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