General Information of the Compound
| Compound ID |
CP0491093
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| Compound Name |
US8802673, 53
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| Structure |
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| Formula |
C19H18BrN3O
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| Molecular Weight |
384.277
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| Canonical SMILES |
Brc1cccc2nc(Nc3ccc(cc3)[C@H]3CNCCO3)ccc12
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| InChI |
InChI=1S/C19H18BrN3O/c20-16-2-1-3-17-15(16)8-9-19(23-17)22-14-6-4-13(5-7-14)18-12-21-10-11-24-18/h1-9,18,21H,10-12H2,(H,22,23)/t18-/m1/s1
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| InChIKey |
SSFHINYBRBTTQJ-GOSISDBHSA-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