General Information of the Compound
| Compound ID |
CP0496298
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| Compound Name |
5-Chloro-3-[2'-(3,4-dimethyl-isoxazol-5-ylsulfamoyl)-biphenyl-4-ylmethyl]-2-propyl-3H-imidazole-4-carboxylic acid methyl ester
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| Structure |
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| Formula |
C26H27ClN4O5S
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| Molecular Weight |
543.045
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| Canonical SMILES |
CCCc1nc(Cl)c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C26H27ClN4O5S/c1-5-8-22-28-24(27)23(26(32)35-4)31(22)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)37(33,34)30-25-16(2)17(3)29-36-25/h6-7,9-14,30H,5,8,15H2,1-4H3
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| InChIKey |
XLCKUSNCRBAKDZ-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