General Information of the Compound
| Compound ID |
CP0491104
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| Compound Name |
US8802673, 166
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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(ccc1Nc1ncc(cn1)C(F)(F)F)[C@@H]1CNCCO1
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| InChI |
InChI=1S/C16H17F3N4O/c1-10-6-11(14-9-20-4-5-24-14)2-3-13(10)23-15-21-7-12(8-22-15)16(17,18)19/h2-3,6-8,14,20H,4-5,9H2,1H3,(H,21,22,23)/t14-/m0/s1
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| InChIKey |
GKWCGXQJLPLVMD-AWEZNQCLSA-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