General Information of the Compound
| Compound ID |
CP0850696
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| Compound Name |
N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-N-(3,4-dimethoxyphenethyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
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| Structure |
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| Formula |
C30H37NO6
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| Molecular Weight |
507.627
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| Canonical SMILES |
COc1ccc(OC)c(CCCN(CCc2ccc(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)c1
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| InChI |
InChI=1S/C30H37NO6/c1-32-25-9-12-26(33-2)24(20-25)6-5-15-31(16-13-22-7-10-27(34-3)29(18-22)35-4)17-14-23-8-11-28-30(19-23)37-21-36-28/h7-12,18-20H,5-6,13-17,21H2,1-4H3
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| InChIKey |
NNXMXZAHWDHMEF-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