General Information of the Compound
| Compound ID |
CP0398468
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| Compound Name |
3-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]phenol
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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 |
COc1cc2CCN(CCc3ccccc3-c3cccc(O)c3)Cc2cc1OC
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| InChI |
InChI=1S/C25H27NO3/c1-28-24-15-19-11-13-26(17-21(19)16-25(24)29-2)12-10-18-6-3-4-9-23(18)20-7-5-8-22(27)14-20/h3-9,14-16,27H,10-13,17H2,1-2H3
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| InChIKey |
KTXGMPCLOCJNQG-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