General Information of the Compound
| Compound ID |
CP0516128
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| Compound Name |
2-Benzenesulfonyl-4-(4-hydroxy-phenyl)-1,2,3,4-tetrahydro-isoquinolin-7-ol
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| Structure |
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| Formula |
C21H19NO4S
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| Molecular Weight |
381.453
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| Canonical SMILES |
Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H19NO4S/c23-17-8-6-15(7-9-17)21-14-22(13-16-12-18(24)10-11-20(16)21)27(25,26)19-4-2-1-3-5-19/h1-12,21,23-24H,13-14H2
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| InChIKey |
LEERKNYDXARYEY-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