General Information of the Compound
| Compound ID |
CP0511294
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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 methylamide
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| Structure |
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| Formula |
C31H39N5O5S
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| Molecular Weight |
593.75
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| Canonical SMILES |
CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C31H39N5O5S/c1-7-12-28-33-26(8-2)29(30(37)32-6)36(28)18-22-15-16-24(23(17-22)19-40-9-3)25-13-10-11-14-27(25)42(38,39)35-31-20(4)21(5)34-41-31/h10-11,13-17,35H,7-9,12,18-19H2,1-6H3,(H,32,37)
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| InChIKey |
OYVJMOMBUZRBJY-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