General Information of the Compound
| Compound ID |
CP0541944
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| Compound Name |
6-Hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C24H30N2O4
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| Molecular Weight |
410.514
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| Canonical SMILES |
CCOC(=O)N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1
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| InChI |
InChI=1S/C24H30N2O4/c1-2-29-24(28)26-14-11-19-17-20(27)7-10-22(19)23(26)18-5-8-21(9-6-18)30-16-15-25-12-3-4-13-25/h5-10,17,23,27H,2-4,11-16H2,1H3
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| InChIKey |
KUEZQAQZOUTJKW-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