General Information of the Compound
| Compound ID |
CP0508591
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| Compound Name |
2-[3,5-dibromo-4-[(3,5-difluorophenyl)methyl-[[4-[2-(trifluoromethyl)phenoxy]phenyl]methyl]amino]phenyl]acetic acid
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| Structure |
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| Formula |
C29H20Br2F5NO3
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| Molecular Weight |
685.281
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| Canonical SMILES |
OC(=O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccccc3C(F)(F)F)cc2)Cc2cc(F)cc(F)c2)c(Br)c1
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| InChI |
InChI=1S/C29H20Br2F5NO3/c30-24-11-18(13-27(38)39)12-25(31)28(24)37(16-19-9-20(32)14-21(33)10-19)15-17-5-7-22(8-6-17)40-26-4-2-1-3-23(26)29(34,35)36/h1-12,14H,13,15-16H2,(H,38,39)
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| InChIKey |
INBJWXVAOUPPNY-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