General Information of the Compound
| Compound ID |
CP0249291
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| Compound Name |
2-[2-[3-(2,2-dimethylpropanoyl)-4-hydroxy-5-oxo-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-2-yl]phenoxy]acetic acid
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| Structure |
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| Formula |
C27H25NO6S
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| Molecular Weight |
491.565
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| Canonical SMILES |
CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCC(O)=O)c1ccc(cc1)-c1ccsc1
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| InChI |
InChI=1S/C27H25NO6S/c1-27(2,3)25(32)22-23(19-6-4-5-7-20(19)34-14-21(29)30)28(26(33)24(22)31)18-10-8-16(9-11-18)17-12-13-35-15-17/h4-13,15,23,31H,14H2,1-3H3,(H,29,30)
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| InChIKey |
LTOPYZFRLCROFQ-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