General Information of the Compound
| Compound ID |
CP0424445
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| Compound Name |
2-[3,5-dibromo-4-[(3,5-difluorophenyl)methyl-[[4-(2,4-dimethylphenoxy)phenyl]methyl]amino]phenyl]acetic acid
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| Structure |
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| Formula |
C30H25Br2F2NO3
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| Molecular Weight |
645.338
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| Canonical SMILES |
Cc1ccc(Oc2ccc(CN(Cc3cc(F)cc(F)c3)c3c(Br)cc(CC(O)=O)cc3Br)cc2)c(C)c1
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| InChI |
InChI=1S/C30H25Br2F2NO3/c1-18-3-8-28(19(2)9-18)38-25-6-4-20(5-7-25)16-35(17-22-10-23(33)15-24(34)11-22)30-26(31)12-21(13-27(30)32)14-29(36)37/h3-13,15H,14,16-17H2,1-2H3,(H,36,37)
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| InChIKey |
BFFDALZJIKNQKR-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