General Information of the Compound
| Compound ID |
CP0443910
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| Compound Name |
2-[4-[[2-ethoxy-4-ethyl-5-[[[(2S)-4-methyl-2-sulfanylpentanoyl]amino]methyl]imidazol-1-yl]methyl]-2,5-difluorophenyl]benzoic acid
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| Structure |
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| Formula |
C28H33F2N3O4S
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| Molecular Weight |
545.652
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| Canonical SMILES |
CCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1cc(F)c(cc1F)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C28H33F2N3O4S/c1-5-23-24(14-31-26(34)25(38)11-16(3)4)33(28(32-23)37-6-2)15-17-12-22(30)20(13-21(17)29)18-9-7-8-10-19(18)27(35)36/h7-10,12-13,16,25,38H,5-6,11,14-15H2,1-4H3,(H,31,34)(H,35,36)/t25-/m0/s1
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| InChIKey |
SYHXTELYVKDCHI-VWLOTQADSA-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