General Information of the Compound
| Compound ID |
CP0361373
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| Compound Name |
2-[4-[[2-butyl-4-chloro-5-[[2-(sulfanylmethyl)hexanoylamino]methyl]imidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C29H36ClN3O3S
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| Molecular Weight |
542.145
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| Canonical SMILES |
CCCCC(CS)C(=O)NCc1c(Cl)nc(CCCC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C29H36ClN3O3S/c1-3-5-9-22(19-37)28(34)31-17-25-27(30)32-26(12-6-4-2)33(25)18-20-13-15-21(16-14-20)23-10-7-8-11-24(23)29(35)36/h7-8,10-11,13-16,22,37H,3-6,9,12,17-19H2,1-2H3,(H,31,34)(H,35,36)
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| InChIKey |
MAMIBVRNOYOUBU-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