General Information of the Compound
| Compound ID |
CP0945587
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| Compound Name |
2-fluoro-4-(2-(5-phenyl-1H-pyrazol-3-yl)piperidin-1-ylsulfonyl)-N-(thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C23H22FN5O4S3
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| Molecular Weight |
547.659
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| Canonical SMILES |
O=S(=O)(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCCC2c2cc(-c3ccccc3)[nH]n2)cc1F
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| InChI |
InChI=1S/C23H22FN5O4S3/c24-18-14-17(9-10-22(18)35(30,31)28-23-25-11-13-34-23)36(32,33)29-12-5-4-8-21(29)20-15-19(26-27-20)16-6-2-1-3-7-16/h1-3,6-7,9-11,13-15,21H,4-5,8,12H2,(H,25,28)(H,26,27)
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| InChIKey |
ILLNHSGUCZRYKL-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