General Information of the Compound
| Compound ID |
CP0537685
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| Compound Name |
3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-biphenyl-4-ylmethyl]-5-ethyl-2-propyl-3H-imidazole-4-carboxylic acid amide
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| Structure |
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| Formula |
C27H31N5O4S
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| Molecular Weight |
521.643
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| Canonical SMILES |
CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C27H31N5O4S/c1-5-9-24-29-22(6-2)25(26(28)33)32(24)16-19-12-14-20(15-13-19)21-10-7-8-11-23(21)37(34,35)31-27-17(3)18(4)30-36-27/h7-8,10-15,31H,5-6,9,16H2,1-4H3,(H2,28,33)
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| InChIKey |
IIRPGRQYSBGVCA-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