General Information of the Compound
| Compound ID |
CP0362315
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| Compound Name |
4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
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| Structure |
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| Formula |
C26H25NO5S
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| Molecular Weight |
463.555
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| Canonical SMILES |
CC(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccsc1
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| InChI |
InChI=1S/C26H25NO5S/c1-16(2)24(29)22-23(20-5-3-4-6-21(20)32-13-12-28)27(26(31)25(22)30)19-9-7-17(8-10-19)18-11-14-33-15-18/h3-11,14-16,23,28,30H,12-13H2,1-2H3
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| InChIKey |
FDLDOOPLMYSDGD-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