General Information of the Compound
| Compound ID |
CP0007546
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| Compound Name |
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((4′-methoxy-[1,1′-biphenyl]-3-yl)oxy)propan-2-ol
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| Structure |
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| Formula |
C25H27NO3
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| Molecular Weight |
389.495
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| Canonical SMILES |
COc1ccc(cc1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C25H27NO3/c1-28-24-11-9-20(10-12-24)21-7-4-8-25(15-21)29-18-23(27)17-26-14-13-19-5-2-3-6-22(19)16-26/h2-12,15,23,27H,13-14,16-18H2,1H3
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| InChIKey |
IGUFQYBODOEHLI-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