General Information of the Compound
| Compound ID |
CP0448534
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| Compound Name |
3-O-Methyldopamine hydrochloride
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| Synonyms |
3-methoxy-4-hydroxyphenethylamine
3-methoxytyramine
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| Structure |
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| Formula |
C9H13NO2
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| Molecular Weight |
167.208
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| Canonical SMILES |
COc1cc(CCN)ccc1O
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| InChI |
InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3
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| InChIKey |
DIVQKHQLANKJQO-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: PT00957, D(2) dopamine receptor
Protein ID: PT04763, Trace amine-associated receptor 1
Clinical Information about the Compound
Drug 1 ( 3-methoxytyramine )
| Drug Name | 3-methoxytyramine | ||
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