General Information of the Compound
| Compound ID |
CP0484440
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| Compound Name |
US11697636, Example 172
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| Structure |
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| Formula |
C20H25N3O2
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| Molecular Weight |
339.439
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| Canonical SMILES |
CCOc1ccc(nc1)C(=O)Nc1ccc(CCC2CCCN2)cc1
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| InChI |
InChI=1S/C20H25N3O2/c1-2-25-18-11-12-19(22-14-18)20(24)23-17-9-6-15(7-10-17)5-8-16-4-3-13-21-16/h6-7,9-12,14,16,21H,2-5,8,13H2,1H3,(H,23,24)
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| InChIKey |
HHJWTSKNRWFIQO-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