General Information of the Compound
| Compound ID |
CP0387490
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| Compound Name |
3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-(3,4-dihydroisoquinoline)
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| Structure |
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| Formula |
C27H31NO2
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| Molecular Weight |
401.55
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C27H31NO2/c1-29-26-12-6-8-22(20-26)14-15-24-10-4-5-13-27(24)30-19-7-17-28-18-16-23-9-2-3-11-25(23)21-28/h2-6,8-13,20H,7,14-19,21H2,1H3
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| InChIKey |
APPBBNWLWVQQTF-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