General Information of the Compound
| Compound ID |
CP0463555
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| Compound Name |
2-[3,5-dibromo-4-[(3,5-difluorophenyl)methyl-[[4-(2-methoxyphenoxy)phenyl]methyl]amino]phenyl]acetic acid
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| Structure |
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| Formula |
C29H23Br2F2NO4
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| Molecular Weight |
647.31
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| Canonical SMILES |
COc1ccccc1Oc1ccc(CN(Cc2cc(F)cc(F)c2)c2c(Br)cc(CC(O)=O)cc2Br)cc1
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| InChI |
InChI=1S/C29H23Br2F2NO4/c1-37-26-4-2-3-5-27(26)38-23-8-6-18(7-9-23)16-34(17-20-10-21(32)15-22(33)11-20)29-24(30)12-19(13-25(29)31)14-28(35)36/h2-13,15H,14,16-17H2,1H3,(H,35,36)
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| InChIKey |
UVRMUBCASGJVRN-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