General Information of the Compound
| Compound ID |
CP0464718
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| Compound Name |
3,3',5-triiodothyronamine
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| Structure |
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| Formula |
C14H12I3NO2
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| Molecular Weight |
606.967
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| Canonical SMILES |
NCCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
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| InChI |
InChI=1S/C14H12I3NO2/c15-10-7-9(1-2-13(10)19)20-14-11(16)5-8(3-4-18)6-12(14)17/h1-2,5-7,19H,3-4,18H2
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| InChIKey |
KIXGKGGCXPSNDX-UHFFFAOYSA-N
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| CAS |
4731-88-8
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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