General Information of the Compound
| Compound ID |
CP0459809
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| Compound Name |
2-(3-iodo-4-phenylmethoxyphenyl)ethanamine
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| Structure |
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| Formula |
C15H16INO
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| Molecular Weight |
353.203
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| Canonical SMILES |
NCCc1ccc(OCc2ccccc2)c(I)c1
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| InChI |
InChI=1S/C15H16INO/c16-14-10-12(8-9-17)6-7-15(14)18-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2
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| InChIKey |
BJUOCGIIRAUHDW-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