General Information of the Compound
| Compound ID |
CP0436498
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| Compound Name |
2-[3,5-dibromo-4-[(3-fluorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]phenyl]acetic acid
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| Structure |
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| Formula |
C28H22Br2FNO3
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| Molecular Weight |
599.294
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| Canonical SMILES |
OC(=O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccccc3)cc2)Cc2cccc(F)c2)c(Br)c1
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| InChI |
InChI=1S/C28H22Br2FNO3/c29-25-14-21(16-27(33)34)15-26(30)28(25)32(18-20-5-4-6-22(31)13-20)17-19-9-11-24(12-10-19)35-23-7-2-1-3-8-23/h1-15H,16-18H2,(H,33,34)
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| InChIKey |
PKSUBVJXQCVWRS-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