General Information of the Compound
| Compound ID |
CP0362316
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| Compound Name |
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-methylsulfinylethoxy)phenyl]-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
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| Structure |
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| Formula |
C28H29NO5S2
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| Molecular Weight |
523.676
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| Canonical SMILES |
C[S+]([O-])CCOc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1
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| InChI |
InChI=1S/C28H29NO5S2/c1-28(2,3)26(31)23-24(21-7-5-6-8-22(21)34-14-16-36(4)33)29(27(32)25(23)30)20-11-9-18(10-12-20)19-13-15-35-17-19/h5-13,15,17,24,30H,14,16H2,1-4H3
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| InChIKey |
OFHDTCSYYVFYKS-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