General Information of the Compound
| Compound ID |
CP0428254
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| Compound Name |
N-cyclopropyl-4-hydroxy-N-[2-hydroxy-2-(4-hydroxyphenyl)propyl]benzenesulfonamide
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| Structure |
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| Formula |
C18H21NO5S
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| Molecular Weight |
363.435
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| Canonical SMILES |
CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1
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| InChI |
InChI=1S/C18H21NO5S/c1-18(22,13-2-6-15(20)7-3-13)12-19(14-4-5-14)25(23,24)17-10-8-16(21)9-11-17/h2-3,6-11,14,20-22H,4-5,12H2,1H3
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| InChIKey |
FYFGRWOQQRABOK-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