General Information of the Compound
| Compound ID |
CP0405000
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| Compound Name |
US10501411, Example 191
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| Structure |
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| Formula |
C19H20F3N3O2
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| Molecular Weight |
379.382
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| Canonical SMILES |
FC(F)(F)COc1ccc(nc1)C(=O)Nc1ccc(cc1)C1CCCNC1
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| InChI |
InChI=1S/C19H20F3N3O2/c20-19(21,22)12-27-16-7-8-17(24-11-16)18(26)25-15-5-3-13(4-6-15)14-2-1-9-23-10-14/h3-8,11,14,23H,1-2,9-10,12H2,(H,25,26)
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| InChIKey |
RFPJWUNHQMJZOW-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