General Information of the Compound
| Compound ID |
CP0391084
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| Compound Name |
3-methyl-thyronamine
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| Structure |
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| Formula |
C15H17NO2
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| Molecular Weight |
243.306
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| Canonical SMILES |
Cc1cc(CCN)ccc1Oc1ccc(O)cc1
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| InChI |
InChI=1S/C15H17NO2/c1-11-10-12(8-9-16)2-7-15(11)18-14-5-3-13(17)4-6-14/h2-7,10,17H,8-9,16H2,1H3
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| InChIKey |
URYPTTOZTOPPDW-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