General Information of the Compound
| Compound ID |
CP0503715
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| Compound Name |
US8802673, 178
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| Structure |
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| Formula |
C16H17F3N4O
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| Molecular Weight |
338.333
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| Canonical SMILES |
Cc1cc(nc(Nc2ccc(cc2)C2CNCCO2)n1)C(F)(F)F
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| InChI |
InChI=1S/C16H17F3N4O/c1-10-8-14(16(17,18)19)23-15(21-10)22-12-4-2-11(3-5-12)13-9-20-6-7-24-13/h2-5,8,13,20H,6-7,9H2,1H3,(H,21,22,23)
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| InChIKey |
KMBUWSMZLJFIOR-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: PT06968, Trace amine-associated receptor 7b