General Information of the Compound
| Compound ID |
CP0439283
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| Compound Name |
4{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-(3,4-dihydroisoquinoline)
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| Structure |
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| Formula |
C28H33NO2
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| Molecular Weight |
415.577
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCCN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C28H33NO2/c1-30-27-13-8-9-23(21-27)15-16-25-11-4-5-14-28(25)31-20-7-6-18-29-19-17-24-10-2-3-12-26(24)22-29/h2-5,8-14,21H,6-7,15-20,22H2,1H3
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| InChIKey |
OPXRSVLLXLRXFI-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