General Information of the Compound
| Compound ID |
CP0566259
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| Compound Name |
US10501411, Example 82
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| Structure |
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| Formula |
C16H16FN3O
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| Molecular Weight |
285.322
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| Canonical SMILES |
Fc1cccnc1C(=O)Nc1ccc(cc1)C1CCNC1
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| InChI |
InChI=1S/C16H16FN3O/c17-14-2-1-8-19-15(14)16(21)20-13-5-3-11(4-6-13)12-7-9-18-10-12/h1-6,8,12,18H,7,9-10H2,(H,20,21)
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| InChIKey |
INPKTHOMWVTJRL-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: PT03501, Trace amine-associated receptor 1