General Information of the Compound
| Compound ID |
CP0437508
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| Compound Name |
2-{2,5-Dimethoxy-4-[3-(4-methoxy-phenyl)-propyl]-phenyl}-1-methyl-ethylamine
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| Structure |
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| Formula |
C21H29NO3
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| Molecular Weight |
343.467
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| Canonical SMILES |
COc1ccc(CCCc2cc(OC)c(CC(C)N)cc2OC)cc1
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| InChI |
InChI=1S/C21H29NO3/c1-15(22)12-18-14-20(24-3)17(13-21(18)25-4)7-5-6-16-8-10-19(23-2)11-9-16/h8-11,13-15H,5-7,12,22H2,1-4H3
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| InChIKey |
QQVQBSXATXKAAM-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