General Information of the Compound
| Compound ID |
CP0454747
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| Compound Name |
4-(4-Hydroxy-phenyl)-2-(naphthalene-1-sulfonyl)-1,2,3,4-tetrahydro-isoquinolin-7-ol
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| Structure |
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| Formula |
C25H21NO4S
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| Molecular Weight |
431.513
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| Canonical SMILES |
Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H21NO4S/c27-20-10-8-18(9-11-20)24-16-26(15-19-14-21(28)12-13-22(19)24)31(29,30)25-7-3-5-17-4-1-2-6-23(17)25/h1-14,24,27-28H,15-16H2
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| InChIKey |
LXRCRKABAIYOCQ-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