General Information of the Compound
| Compound ID |
CP0448138
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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 dimethylamide
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| Structure |
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| Formula |
C29H35N5O4S
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| Molecular Weight |
549.697
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| Canonical SMILES |
CCCc1nc(CC)c(C(=O)N(C)C)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C29H35N5O4S/c1-7-11-26-30-24(8-2)27(29(35)33(5)6)34(26)18-21-14-16-22(17-15-21)23-12-9-10-13-25(23)39(36,37)32-28-19(3)20(4)31-38-28/h9-10,12-17,32H,7-8,11,18H2,1-6H3
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| InChIKey |
FCUQWHAINXOYOX-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