General Information of the Compound
| Compound ID |
CP0241994
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| Compound Name |
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one
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| Structure |
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| Formula |
C26H26N2O6
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| Molecular Weight |
462.502
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| Canonical SMILES |
CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccon1
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| InChI |
InChI=1S/C26H26N2O6/c1-26(2,3)24(31)21-22(18-6-4-5-7-20(18)33-15-13-29)28(25(32)23(21)30)17-10-8-16(9-11-17)19-12-14-34-27-19/h4-12,14,22,29-30H,13,15H2,1-3H3
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| InChIKey |
IUCLLEZQKXRIJZ-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