General Information of the Compound
| Compound ID |
CP0403982
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| Compound Name |
3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-ethoxymethyl-biphenyl-4-ylmethyl]-5-ethyl-2-propyl-3H-imidazole-4-carboxylic acid amide
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| Structure |
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| Formula |
C30H37N5O5S
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| Molecular Weight |
579.723
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| Canonical SMILES |
CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C30H37N5O5S/c1-6-11-27-32-25(7-2)28(29(31)36)35(27)17-21-14-15-23(22(16-21)18-39-8-3)24-12-9-10-13-26(24)41(37,38)34-30-19(4)20(5)33-40-30/h9-10,12-16,34H,6-8,11,17-18H2,1-5H3,(H2,31,36)
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| InChIKey |
YCNOAAZOGKEPCU-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