General Information of the Compound
| Compound ID |
CP0472507
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| Compound Name |
3-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-methyl-biphenyl-4-ylmethyl]-5-ethyl-2-propyl-3H-imidazole-4-carboxylic acid amide
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| Structure |
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| Formula |
C28H33N5O4S
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| Molecular Weight |
535.67
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| Canonical SMILES |
CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C28H33N5O4S/c1-6-10-25-30-23(7-2)26(27(29)34)33(25)16-20-13-14-21(17(3)15-20)22-11-8-9-12-24(22)38(35,36)32-28-18(4)19(5)31-37-28/h8-9,11-15,32H,6-7,10,16H2,1-5H3,(H2,29,34)
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| InChIKey |
VVGRGSRZVVXEEN-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