General Information of the Compound
| Compound ID |
CP0429876
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| Compound Name |
N-cyclopropyl-4-hydroxy-N-(2-hydroxy-2-phenylhexyl)benzenesulfonamide
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| Structure |
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| Formula |
C21H27NO4S
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| Molecular Weight |
389.517
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| Canonical SMILES |
CCCCC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1
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| InChI |
InChI=1S/C21H27NO4S/c1-2-3-15-21(24,17-7-5-4-6-8-17)16-22(18-9-10-18)27(25,26)20-13-11-19(23)12-14-20/h4-8,11-14,18,23-24H,2-3,9-10,15-16H2,1H3
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| InChIKey |
LTHLLNWDSVMNLD-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