General Information of the Compound
| Compound ID |
CP0378378
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| Compound Name |
4-[5-cyano-2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]-N-(dimethylsulfamoyl)butanamide
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| Structure |
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| Formula |
C22H23FN4O3S
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| Molecular Weight |
442.516
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| Canonical SMILES |
CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2cc(C)c(cc12)C#N)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H23FN4O3S/c1-14-11-20-19(12-16(14)13-24)18(22(25-20)15-7-9-17(23)10-8-15)5-4-6-21(28)26-31(29,30)27(2)3/h7-12,25H,4-6H2,1-3H3,(H,26,28)
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| InChIKey |
IVGVAVOXKWZRTA-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