General Information of the Compound
| Compound ID |
CP0429877
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| Compound Name |
N-cyclopropyl-N-[2-(2-fluorophenyl)-2-hydroxypropyl]-4-hydroxybenzenesulfonamide
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| Structure |
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| Formula |
C18H20FNO4S
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| Molecular Weight |
365.426
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| Canonical SMILES |
CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1F
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| InChI |
InChI=1S/C18H20FNO4S/c1-18(22,16-4-2-3-5-17(16)19)12-20(13-6-7-13)25(23,24)15-10-8-14(21)9-11-15/h2-5,8-11,13,21-22H,6-7,12H2,1H3
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| InChIKey |
CDWQVKCIKWCXMQ-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