General Information of the Compound
| Compound ID |
CP0851021
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| Compound Name |
3-(2-(2-(benzyloxy)-5-bromophenyl)-5-ethyl-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C26H22BrNO3
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| Molecular Weight |
476.37
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| Canonical SMILES |
CCc1ccc(-c2cc(Br)ccc2OCc2ccccc2)n1-c1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C26H22BrNO3/c1-2-21-12-13-24(28(21)22-10-6-9-19(15-22)26(29)30)23-16-20(27)11-14-25(23)31-17-18-7-4-3-5-8-18/h3-16H,2,17H2,1H3,(H,29,30)
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| InChIKey |
ZXWGJVLGBVNKBX-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