General Information of the Compound
| Compound ID |
CP0389894
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| Compound Name |
N-butyl-4-hydroxy-N-(2-hydroxy-2-phenylpropyl)benzenesulfonamide
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| Structure |
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| Formula |
C19H25NO4S
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| Molecular Weight |
363.479
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| Canonical SMILES |
CCCCN(CC(C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C19H25NO4S/c1-3-4-14-20(15-19(2,22)16-8-6-5-7-9-16)25(23,24)18-12-10-17(21)11-13-18/h5-13,21-22H,3-4,14-15H2,1-2H3
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| InChIKey |
XLGJKKNASXOOKD-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta