General Information of the Compound
| Compound ID |
CP0486058
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| Compound Name |
US8802673, 25
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| Structure |
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| Formula |
C18H19F3N2O2
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| Molecular Weight |
352.356
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CNc2ccc(cc2)[C@H]2CNCCO2)cc1
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| InChI |
InChI=1S/C18H19F3N2O2/c19-18(20,21)25-16-7-1-13(2-8-16)11-23-15-5-3-14(4-6-15)17-12-22-9-10-24-17/h1-8,17,22-23H,9-12H2/t17-/m1/s1
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| InChIKey |
HFQWIWDTZQPAMR-QGZVFWFLSA-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