General Information of the Compound
| Compound ID |
CP0483330
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| Compound Name |
2-[5-[4-[[N-[(3,5-difluorophenyl)methyl]-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C30H27F3N2O6S
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| Molecular Weight |
600.615
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| Canonical SMILES |
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(F)c(OCC(O)=O)c2)cc1)Cc1cc(F)cc(F)c1
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| InChI |
InChI=1S/C30H27F3N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-12-22(31)14-23(32)13-21)16-20-6-8-24(9-7-20)41-25-10-11-26(33)29(15-25)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)
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| InChIKey |
SUMDKKPJNURZEW-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