General Information of the Compound
| Compound ID |
CP0429522
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| Compound Name |
N-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxypropyl]-4-hydroxybenzenesulfonamide
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| Structure |
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| Formula |
C18H19F2NO4S
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| Molecular Weight |
383.416
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| Canonical SMILES |
CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1c(F)cccc1F
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| InChI |
InChI=1S/C18H19F2NO4S/c1-18(23,17-15(19)3-2-4-16(17)20)11-21(12-5-6-12)26(24,25)14-9-7-13(22)8-10-14/h2-4,7-10,12,22-23H,5-6,11H2,1H3
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| InChIKey |
HQFAKOFDCPYPMP-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