General Information of the Compound
| Compound ID |
CP0528999
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| Compound Name |
US8802673, 136
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| Structure |
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| Formula |
C16H17F3N4O2
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| Molecular Weight |
354.332
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| Canonical SMILES |
FC(F)(F)COc1cnc(Nc2ccc(cc2)[C@H]2CNCCO2)nc1
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| InChI |
InChI=1S/C16H17F3N4O2/c17-16(18,19)10-25-13-7-21-15(22-8-13)23-12-3-1-11(2-4-12)14-9-20-5-6-24-14/h1-4,7-8,14,20H,5-6,9-10H2,(H,21,22,23)/t14-/m1/s1
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| InChIKey |
ZTYHAMMHLXFZFI-CQSZACIVSA-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