General Information of the Compound
| Compound ID |
CP0442942
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| Compound Name |
US8802673, 209
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| Structure |
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| Formula |
C16H15F5N4O2
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| Molecular Weight |
390.312
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| Canonical SMILES |
Fc1cnc(Nc2ccc(C3CNCCO3)c(F)c2)nc1OCC(F)(F)F
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| InChI |
InChI=1S/C16H15F5N4O2/c17-11-5-9(1-2-10(11)13-7-22-3-4-26-13)24-15-23-6-12(18)14(25-15)27-8-16(19,20)21/h1-2,5-6,13,22H,3-4,7-8H2,(H,23,24,25)
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| InChIKey |
ALNGRRMJEIRAFV-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