General Information of the Compound
| Compound ID |
CP0055675
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| Compound Name |
2-Iodomelatonin
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| Synonyms |
2-iodomelatonin
2-I-MLT
2-Iodomelatonin
2-iodo-melatonin
93515-00-5
AC1L3GZ8
AC1Q5P6Z
Acetamide, N-(2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl)-
Acetamide, N-(2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl)-, (3beta)-
BDBM29611
CHEMBL289233
CTK8F4316
DTXSID30239462
GTPL1343
IODOMELATONIN
Lopac-I-1899
Lopac0_000610
ML2
Melatonin,2-Iodo
N-(2-(2-Iodo-5-methoxy-1H-indol-3-yl)ethyl)acetamide
SCHEMBL163451
SR-01000075935
Tocris-0737
acetamide,n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]-
n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamide
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| Structure |
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| Formula |
C13H15IN2O2
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| Molecular Weight |
358.179
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| Canonical SMILES |
COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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| InChIKey |
FJDDSMSDZHURBJ-UHFFFAOYSA-N
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| CAS |
93515-00-5
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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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B
Clinical Information about the Compound