General Information of the Compound
| Compound ID |
CP0139973
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| Compound Name |
4-hydroxy-3-(2-methylpropanoyl)-2-[2-(2-methylsulfinylethoxy)phenyl]-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
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| Structure |
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| Formula |
C27H27NO5S2
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| Molecular Weight |
509.649
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| Canonical SMILES |
CC(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCC[S+](C)[O-])c1ccc(cc1)-c1ccsc1
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| InChI |
InChI=1S/C27H27NO5S2/c1-17(2)25(29)23-24(21-6-4-5-7-22(21)33-13-15-35(3)32)28(27(31)26(23)30)20-10-8-18(9-11-20)19-12-14-34-16-19/h4-12,14,16-17,24,30H,13,15H2,1-3H3
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| InChIKey |
WLLMHLXFTTYNGV-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