General Information of the Compound
| Compound ID |
CP0164450
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| Compound Name |
2-[4-[[5-[[(2-benzyl-3-sulfanylpropanoyl)amino]methyl]-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C32H34ClN3O3S
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| Molecular Weight |
576.162
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| Canonical SMILES |
CCCCc1nc(Cl)c(CNC(=O)C(CS)Cc2ccccc2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C32H34ClN3O3S/c1-2-3-13-29-35-30(33)28(19-34-31(37)25(21-40)18-22-9-5-4-6-10-22)36(29)20-23-14-16-24(17-15-23)26-11-7-8-12-27(26)32(38)39/h4-12,14-17,25,40H,2-3,13,18-21H2,1H3,(H,34,37)(H,38,39)
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| InChIKey |
CYNMVNBCWCSPSU-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