General Information of the Compound
| Compound ID |
CP0294359
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| Compound Name |
2-(4-bromo-2,5-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
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| Structure |
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| Formula |
C18H22BrNO3
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| Molecular Weight |
380.282
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| Canonical SMILES |
COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1
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| InChI |
InChI=1S/C18H22BrNO3/c1-21-15-6-4-5-13(9-15)12-20-8-7-14-10-18(23-3)16(19)11-17(14)22-2/h4-6,9-11,20H,7-8,12H2,1-3H3
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| InChIKey |
NFOSUSKGYPPAMT-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