General Information of the Compound
| Compound ID |
CP0082063
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| Compound Name |
3-(2-(2-(4-fluorobenzyloxy)-5-bromophenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C25H19BrFNO3
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| Molecular Weight |
480.333
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C25H19BrFNO3/c1-16-5-11-23(28(16)21-4-2-3-18(13-21)25(29)30)22-14-19(26)8-12-24(22)31-15-17-6-9-20(27)10-7-17/h2-14H,15H2,1H3,(H,29,30)
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| InChIKey |
GTOHPDRFIIYBBJ-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