General Information of the Compound
| Compound ID |
CP0944647
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| Compound Name |
4-tert-butyl-N-(3-(hydroxymethyl)phenyl)benzenesulfonamide
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| Structure |
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| Formula |
C17H21NO3S
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| Molecular Weight |
319.426
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| Canonical SMILES |
CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(CO)c2)cc1
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| InChI |
InChI=1S/C17H21NO3S/c1-17(2,3)14-7-9-16(10-8-14)22(20,21)18-15-6-4-5-13(11-15)12-19/h4-11,18-19H,12H2,1-3H3
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| InChIKey |
SBXQJTHVCJAOBF-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