General Information of the Compound
| Compound ID |
CP0516793
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| Compound Name |
US9029370, 73
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| Structure |
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| Formula |
C20H21FN4O3
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| Molecular Weight |
384.411
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| Canonical SMILES |
CCOc1ccc(cc1NC(=O)Nc1ccc(cc1F)[C@H]1CNCCO1)C#N
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| InChI |
InChI=1S/C20H21FN4O3/c1-2-27-18-6-3-13(11-22)9-17(18)25-20(26)24-16-5-4-14(10-15(16)21)19-12-23-7-8-28-19/h3-6,9-10,19,23H,2,7-8,12H2,1H3,(H2,24,25,26)/t19-/m1/s1
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| InChIKey |
QAWBEKVAJMYSGM-LJQANCHMSA-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