General Information of the Compound
| Compound ID |
CP0403980
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| Compound Name |
4'-(5-Acetyl-4-chloro-2-propyl-imidazol-1-ylmethyl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C26H27ClN4O4S
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| Molecular Weight |
527.046
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| Canonical SMILES |
CCCc1nc(Cl)c(C(C)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C26H27ClN4O4S/c1-5-8-23-28-25(27)24(18(4)32)31(23)15-19-11-13-20(14-12-19)21-9-6-7-10-22(21)36(33,34)30-26-16(2)17(3)29-35-26/h6-7,9-14,30H,5,8,15H2,1-4H3
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| InChIKey |
HDRDIUYQWRKIFA-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