General Information of the Compound
| Compound ID |
CP0952470
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| Compound Name |
4-tert-Butyl-N-4-chloro-2-(1H-pyrazole-3-carbonyl)-phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C20H20ClN3O3S
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| Molecular Weight |
417.918
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| Canonical SMILES |
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[nH]n2)cc1
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| InChI |
InChI=1S/C20H20ClN3O3S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)24-17-9-6-14(21)12-16(17)19(25)18-10-11-22-23-18/h4-12,24H,1-3H3,(H,22,23)
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| InChIKey |
RQXYQJPSWSQVJE-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