General Information of the Compound
| Compound ID |
CP0539102
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| Compound Name |
US8802673, 208
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| Structure |
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| Formula |
C16H16F4N4O2
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| Molecular Weight |
372.322
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| Canonical SMILES |
Fc1cc(Nc2nccc(OCC(F)(F)F)n2)ccc1C1CNCCO1
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| InChI |
InChI=1S/C16H16F4N4O2/c17-12-7-10(1-2-11(12)13-8-21-5-6-25-13)23-15-22-4-3-14(24-15)26-9-16(18,19)20/h1-4,7,13,21H,5-6,8-9H2,(H,22,23,24)
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| InChIKey |
MQGNMIIJRCNAPE-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