General Information of the Compound
| Compound ID |
CP0397885
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| Compound Name |
3-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(E)-ylidene]-5-mercapto-3,4-dihydro-pyrrol-2-one
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| Structure |
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| Formula |
C19H25NO2S
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| Molecular Weight |
331.481
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| Canonical SMILES |
CC(C)(C)c1cc(\C=C2/CC(=S)NC2=O)cc(c1O)C(C)(C)C
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| InChI |
InChI=1S/C19H25NO2S/c1-18(2,3)13-8-11(7-12-10-15(23)20-17(12)22)9-14(16(13)21)19(4,5)6/h7-9,21H,10H2,1-6H3,(H,20,22,23)/b12-7+
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| InChIKey |
IESQOZLTQCTSSB-KPKJPENVSA-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