General Information of the Compound
| Compound ID |
CP0429848
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| Compound Name |
4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
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| Structure |
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| Formula |
C15H14F3NO4S
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| Molecular Weight |
361.341
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| Canonical SMILES |
Oc1ccc(cc1)N(CCC(F)(F)F)S(=O)(=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C15H14F3NO4S/c16-15(17,18)9-10-19(11-1-3-12(20)4-2-11)24(22,23)14-7-5-13(21)6-8-14/h1-8,20-21H,9-10H2
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| InChIKey |
RMLDUHAMOFYZJD-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