General Information of the Compound
| Compound ID |
CP0491061
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| Compound Name |
US10501411, Example 104
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| Structure |
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| Formula |
C21H23F3N2O
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| Molecular Weight |
376.422
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| Canonical SMILES |
CC(C(=O)Nc1ccc(cc1)C1CCCNC1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H23F3N2O/c1-14(16-4-2-6-18(12-16)21(22,23)24)20(27)26-19-9-7-15(8-10-19)17-5-3-11-25-13-17/h2,4,6-10,12,14,17,25H,3,5,11,13H2,1H3,(H,26,27)
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| InChIKey |
HFHIIYOTSCEWQK-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