General Information of the Compound
| Compound ID |
CP0512151
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| Compound Name |
US8802673, 109
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| Structure |
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| Formula |
C14H15BrN4O
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| Molecular Weight |
335.205
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| Canonical SMILES |
Brc1ccc(Nc2ccc(cn2)[C@H]2CNCCO2)nc1
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| InChI |
InChI=1S/C14H15BrN4O/c15-11-2-4-14(18-8-11)19-13-3-1-10(7-17-13)12-9-16-5-6-20-12/h1-4,7-8,12,16H,5-6,9H2,(H,17,18,19)/t12-/m1/s1
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| InChIKey |
RACAPLJZZSRTLY-GFCCVEGCSA-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