General Information of the Compound
| Compound ID |
CP0388038
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| Compound Name |
CAS_3046161
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| Structure |
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| Formula |
C10H13NO2
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| Molecular Weight |
179.219
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| Canonical SMILES |
C[C@@H](N)Cc1ccc2OCOc2c1
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| InChI |
InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m1/s1
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| InChIKey |
NGBBVGZWCFBOGO-SSDOTTSWSA-N
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| CAS |
61614-60-6
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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: PT06422, Trace amine-associated receptor 1
Protein ID: PT04763, Trace amine-associated receptor 1