General Information of the Compound
| Compound ID |
CP0470652
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| Compound Name |
US10501411, Example 234
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| Structure |
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| Formula |
C19H19F3N2O
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| Molecular Weight |
348.368
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1
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| InChI |
InChI=1S/C19H19F3N2O/c20-19(21,22)16-5-1-3-14(11-16)18(25)24-17-8-6-13(7-9-17)15-4-2-10-23-12-15/h1,3,5-9,11,15,23H,2,4,10,12H2,(H,24,25)/t15-/m1/s1
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| InChIKey |
UJRCBGVSNLVYNW-OAHLLOKOSA-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