General Information of the Compound
| Compound ID |
CP0880014
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| Compound Name |
3-(2-(2-(2,4,6-trifluorobenzyloxy)-5-bromophenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C25H17BrF3NO3
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| Molecular Weight |
516.313
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2c(F)cc(F)cc2F)n1-c1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C25H17BrF3NO3/c1-14-5-7-23(30(14)18-4-2-3-15(9-18)25(31)32)19-10-16(26)6-8-24(19)33-13-20-21(28)11-17(27)12-22(20)29/h2-12H,13H2,1H3,(H,31,32)
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| InChIKey |
XDPVBRZHAPBMEQ-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