General Information of the Compound
| Compound ID |
CP0849104
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| Compound Name |
N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-N-(3,4-dimethoxyphenethyl)-3-(2-methoxyphenyl)propan-1-amine
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| Structure |
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| Formula |
C29H35NO5
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| Molecular Weight |
477.601
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| Canonical SMILES |
COc1ccccc1CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2c(c1)OCO2
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| InChI |
InChI=1S/C29H35NO5/c1-31-25-9-5-4-7-24(25)8-6-16-30(17-14-22-10-12-26(32-2)28(19-22)33-3)18-15-23-11-13-27-29(20-23)35-21-34-27/h4-5,7,9-13,19-20H,6,8,14-18,21H2,1-3H3
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| InChIKey |
QHMQGMZNIPQZHI-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C