General Information of the Compound
| Compound ID |
CP0491103
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| Compound Name |
US8802673, 143
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| Structure |
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| Formula |
C14H17BrN4O
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| Molecular Weight |
337.221
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| Canonical SMILES |
Cn1cc(Br)c(Nc2ccc(cc2)C2CNCCO2)n1
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| InChI |
InChI=1S/C14H17BrN4O/c1-19-9-12(15)14(18-19)17-11-4-2-10(3-5-11)13-8-16-6-7-20-13/h2-5,9,13,16H,6-8H2,1H3,(H,17,18)
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| InChIKey |
MMPCMVOIRILJML-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