General Information of the Compound
| Compound ID |
CP0555163
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| Compound Name |
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2H-pyrrol-5-one
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| Structure |
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| Formula |
C27H28N2O6
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| Molecular Weight |
476.529
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| Canonical SMILES |
Cc1cc(on1)-c1ccc(cc1)N1C(C(C(=O)C(C)(C)C)=C(O)C1=O)c1ccccc1OCCO
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| InChI |
InChI=1S/C27H28N2O6/c1-16-15-21(35-28-16)17-9-11-18(12-10-17)29-23(19-7-5-6-8-20(19)34-14-13-30)22(24(31)26(29)33)25(32)27(2,3)4/h5-12,15,23,30-31H,13-14H2,1-4H3
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| InChIKey |
UICZHYAYPKFHQS-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