General Information of the Compound
| Compound ID |
CP0462578
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| Compound Name |
5-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}pentyl-(3,4-dihydroisoquinoline)
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| Structure |
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| Formula |
C29H35NO2
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| Molecular Weight |
429.604
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCCCN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C29H35NO2/c1-31-28-14-9-10-24(22-28)16-17-26-12-5-6-15-29(26)32-21-8-2-7-19-30-20-18-25-11-3-4-13-27(25)23-30/h3-6,9-15,22H,2,7-8,16-21,23H2,1H3
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| InChIKey |
NEQJFIXEALLTIV-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