General Information of the Compound
| Compound ID |
CP0432593
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| Compound Name |
2-(3-iodo-4-phenylmethoxyphenyl)-N-methylethanamine
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| Structure |
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| Formula |
C16H18INO
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| Molecular Weight |
367.23
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| Canonical SMILES |
CNCCc1ccc(OCc2ccccc2)c(I)c1
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| InChI |
InChI=1S/C16H18INO/c1-18-10-9-13-7-8-16(15(17)11-13)19-12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12H2,1H3
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| InChIKey |
MAQZSKBSANEUSG-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1