General Information of the Compound
| Compound ID |
CP0553281
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| Compound Name |
US9416127, 28
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| Structure |
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| Formula |
C20H18F3N5O3
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| Molecular Weight |
433.39
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| Canonical SMILES |
FC(F)(F)Oc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1
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| InChI |
InChI=1S/C20H18F3N5O3/c21-20(22,23)31-16-3-1-2-15(10-16)28-25-11-17(27-28)19(29)26-14-6-4-13(5-7-14)18-12-24-8-9-30-18/h1-7,10-11,18,24H,8-9,12H2,(H,26,29)/t18-/m1/s1
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| InChIKey |
OVGPSYUTEHUCAL-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: PT03501, Trace amine-associated receptor 1