General Information of the Compound
| Compound ID |
CP0127224
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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 amide
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| Structure |
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| Formula |
C25H26ClN5O4S
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| Molecular Weight |
528.034
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| Canonical SMILES |
CCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C25H26ClN5O4S/c1-4-7-21-28-23(26)22(24(27)32)31(21)14-17-10-12-18(13-11-17)19-8-5-6-9-20(19)36(33,34)30-25-15(2)16(3)29-35-25/h5-6,8-13,30H,4,7,14H2,1-3H3,(H2,27,32)
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| InChIKey |
XYHBLDIJAJYURE-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