General Information of the Compound
| Compound ID |
CP0516778
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| Compound Name |
US8802673, 4
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| Structure |
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| Formula |
C21H24ClF3N2
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| Molecular Weight |
396.884
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| Canonical SMILES |
FC(F)(F)C(Nc1ccc(CCC2CCCNC2)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H24ClF3N2/c22-18-9-7-17(8-10-18)20(21(23,24)25)27-19-11-5-15(6-12-19)3-4-16-2-1-13-26-14-16/h5-12,16,20,26-27H,1-4,13-14H2
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| InChIKey |
BEOYESMOQLVWGJ-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT06968, Trace amine-associated receptor 7b