General Information of the Compound
| Compound ID |
CP0384616
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| Compound Name |
4-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-(6,7-dimethoxy-3,4-dihydroisoquinoline)
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| Structure |
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| Formula |
C30H37NO4
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| Molecular Weight |
475.629
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCCN2CCc3cc(OC)c(OC)cc3C2)c1
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| InChI |
InChI=1S/C30H37NO4/c1-32-27-11-8-9-23(19-27)13-14-24-10-4-5-12-28(24)35-18-7-6-16-31-17-15-25-20-29(33-2)30(34-3)21-26(25)22-31/h4-5,8-12,19-21H,6-7,13-18,22H2,1-3H3
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| InChIKey |
GXAYQOXIRCFABO-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