General Information of the Compound
| Compound ID |
CP0432314
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| Compound Name |
2-Benzyl-1-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-1,2,3,4-tetrahydro-isoquinolin-6-ol
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| Structure |
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| Formula |
C28H32N2O2
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| Molecular Weight |
428.576
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| Canonical SMILES |
Oc1ccc2C(N(Cc3ccccc3)CCc2c1)c1ccc(OCCN2CCCC2)cc1
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| InChI |
InChI=1S/C28H32N2O2/c31-25-10-13-27-24(20-25)14-17-30(21-22-6-2-1-3-7-22)28(27)23-8-11-26(12-9-23)32-19-18-29-15-4-5-16-29/h1-3,6-13,20,28,31H,4-5,14-19,21H2
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| InChIKey |
GYKURIAKKZGNMS-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