General Information of the Compound
| Compound ID |
CP0550084
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| Compound Name |
US8802673, 2
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| Structure |
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| Formula |
C17H17BrF3N3
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| Molecular Weight |
400.242
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| Canonical SMILES |
FC(F)(F)C(Nc1ccc(cc1)C1CCNC1)c1ccc(Br)cn1
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| InChI |
InChI=1S/C17H17BrF3N3/c18-13-3-6-15(23-10-13)16(17(19,20)21)24-14-4-1-11(2-5-14)12-7-8-22-9-12/h1-6,10,12,16,22,24H,7-9H2
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| InChIKey |
HWEROTVBSIYPHR-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