General Information of the Compound
| Compound ID |
CP0385944
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| Compound Name |
4-[4-(2-aminoethyl)-2-iodophenoxy]phenol
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| Synonyms |
3''-iodothyronamine
3'-iodothyronamine
3-iodothyronamine
4-[4-(2-aminoethyl)phenoxy]-2-iodophenol
BDBM50181801
CHEMBL201002
GTPL2145
SCHEMBL13886595
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| Structure |
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| Formula |
C14H14INO2
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| Molecular Weight |
355.175
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| Canonical SMILES |
NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
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| InChI |
InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
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| InChIKey |
XIINYOJWNGOUPF-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
Clinical Information about the Compound