General Information of the Compound
| Compound ID |
CP0110250
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| Compound Name |
3-(2-(2-(benzyloxy)-5-bromophenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C25H20BrNO3
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| Molecular Weight |
462.343
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccccc2)n1-c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C25H20BrNO3/c1-17-10-12-23(27(17)21-9-5-8-19(14-21)25(28)29)22-15-20(26)11-13-24(22)30-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,28,29)
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| InChIKey |
AYWHETDHKQSQJT-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