General Information of the Compound
| Compound ID |
CP0512815
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| Compound Name |
3-[2-[(2,6-difluorophenyl)methylsulfanyl]-5-(3,4-dimethoxy-N-methylanilino)-1-(4-fluorophenyl)imidazol-4-yl]propanoic acid
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| Structure |
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| Formula |
C28H26F3N3O4S
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| Molecular Weight |
557.594
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| Canonical SMILES |
COc1ccc(cc1OC)N(C)c1c(CCC(O)=O)nc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C28H26F3N3O4S/c1-33(19-11-13-24(37-2)25(15-19)38-3)27-23(12-14-26(35)36)32-28(34(27)18-9-7-17(29)8-10-18)39-16-20-21(30)5-4-6-22(20)31/h4-11,13,15H,12,14,16H2,1-3H3,(H,35,36)
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| InChIKey |
NLFAQCWDVWTFLW-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