General Information of the Compound
Compound ID |
CP0392907
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Compound Name |
4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyethyl)sulfamoyl]butanamide
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Structure |
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Formula |
C22H23FN4O4S
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Molecular Weight |
458.515
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Canonical SMILES |
COCCNS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
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InChI |
InChI=1S/C22H23FN4O4S/c1-31-12-11-25-32(29,30)27-21(28)4-2-3-18-19-13-15(14-24)5-10-20(19)26-22(18)16-6-8-17(23)9-7-16/h5-10,13,25-26H,2-4,11-12H2,1H3,(H,27,28)
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InChIKey |
CCQIMWXDQUFPQD-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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