General Information of the Compound
| Compound ID |
CP0491094
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| Compound Name |
US8802673, 62
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| Structure |
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| Formula |
C16H18BrN3O
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| Molecular Weight |
348.244
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| Canonical SMILES |
Cc1cc(Nc2ccc(cc2)[C@H]2CNCCO2)ncc1Br
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| InChI |
InChI=1S/C16H18BrN3O/c1-11-8-16(19-9-14(11)17)20-13-4-2-12(3-5-13)15-10-18-6-7-21-15/h2-5,8-9,15,18H,6-7,10H2,1H3,(H,19,20)/t15-/m1/s1
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| InChIKey |
FRXUOJQZAVQARS-OAHLLOKOSA-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