General Information of the Compound
| Compound ID |
CP0462929
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| Compound Name |
2-(5-bromo-2-phenylmethoxyphenyl)-5-methyl-1-(4-methylsulfonylphenyl)pyrrole
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| Structure |
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| Formula |
C25H22BrNO3S
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| Molecular Weight |
496.426
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H22BrNO3S/c1-18-8-14-24(27(18)21-10-12-22(13-11-21)31(2,28)29)23-16-20(26)9-15-25(23)30-17-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3
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| InChIKey |
TXTLDKZQCRNXMV-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