General Information of the Compound
| Compound ID |
CP0441793
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| Compound Name |
2-[3-iodo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
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| Structure |
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| Formula |
C16H15F3INO
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| Molecular Weight |
421.2
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| Canonical SMILES |
NCCc1ccc(OCc2ccc(cc2)C(F)(F)F)c(I)c1
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| InChI |
InChI=1S/C16H15F3INO/c17-16(18,19)13-4-1-12(2-5-13)10-22-15-6-3-11(7-8-21)9-14(15)20/h1-6,9H,7-8,10,21H2
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| InChIKey |
VKROPMWPWUFEPK-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1