General Information of the Compound
| Compound ID |
CP0497866
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| Compound Name |
1-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-2-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinolin-6-ol
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| Structure |
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| Formula |
C28H32N2O4S
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| Molecular Weight |
492.641
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1
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| InChI |
InChI=1S/C28H32N2O4S/c1-21-4-11-26(12-5-21)35(32,33)30-17-14-23-20-24(31)8-13-27(23)28(30)22-6-9-25(10-7-22)34-19-18-29-15-2-3-16-29/h4-13,20,28,31H,2-3,14-19H2,1H3
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| InChIKey |
SAIDSERFVUZYSO-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