General Information of the Compound
| Compound ID |
CP0387661
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| Compound Name |
US11697636, Example 166
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| Structure |
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| Formula |
C18H20FN3O
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| Molecular Weight |
313.376
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| Canonical SMILES |
Fc1ccc(nc1)C(=O)Nc1ccc(CCC2CCCN2)cc1
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| InChI |
InChI=1S/C18H20FN3O/c19-14-6-10-17(21-12-14)18(23)22-16-8-4-13(5-9-16)3-7-15-2-1-11-20-15/h4-6,8-10,12,15,20H,1-3,7,11H2,(H,22,23)
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| InChIKey |
MMYTUCPUDVFPHB-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