General Information of the Compound
| Compound ID |
CP0423133
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| Compound Name |
2-[2,5-Dimethoxy-4-(4-phenyl-butyl)-phenyl]-1-methyl-ethylamine
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| Structure |
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| Formula |
C21H29NO2
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| Molecular Weight |
327.468
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| Canonical SMILES |
COc1cc(CC(C)N)c(OC)cc1CCCCc1ccccc1
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| InChI |
InChI=1S/C21H29NO2/c1-16(22)13-19-15-20(23-2)18(14-21(19)24-3)12-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,14-16H,7-8,11-13,22H2,1-3H3
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| InChIKey |
WFHQKLDPRBJNSJ-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
Protein ID: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C