General Information of the Compound
| Compound ID |
CP0849202
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| Compound Name |
2-(benzo[d][1,3]dioxol-5-yl)-N-benzyl-N-(3,4-dimethoxyphenethyl)ethanamine
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| Structure |
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| Formula |
C26H29NO4
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| Molecular Weight |
419.521
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| Canonical SMILES |
COc1ccc(CCN(CCc2ccc3c(c2)OCO3)Cc2ccccc2)cc1OC
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| InChI |
InChI=1S/C26H29NO4/c1-28-23-10-8-20(16-25(23)29-2)12-14-27(18-22-6-4-3-5-7-22)15-13-21-9-11-24-26(17-21)31-19-30-24/h3-11,16-17H,12-15,18-19H2,1-2H3
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| InChIKey |
ZNUXFDOCRFUTSK-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