General Information of the Compound
| Compound ID |
CP0249290
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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]-N,N-dimethylacetamide
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| Structure |
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| Formula |
C29H30N2O5S
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| Molecular Weight |
518.635
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| Canonical SMILES |
CN(C)C(=O)COc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1
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| InChI |
InChI=1S/C29H30N2O5S/c1-29(2,3)27(34)24-25(21-8-6-7-9-22(21)36-16-23(32)30(4)5)31(28(35)26(24)33)20-12-10-18(11-13-20)19-14-15-37-17-19/h6-15,17,25,33H,16H2,1-5H3
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| InChIKey |
PCEMVTGQRJJGLZ-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