General Information of the Compound
| Compound ID |
CP0055446
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| Compound Name |
2,2,2-trifluoroethyl 3-[5-[(3-cyanopyridin-4-yl)methoxy]pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
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| Structure |
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| Formula |
C20H19F3N6O3
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| Molecular Weight |
448.405
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| Canonical SMILES |
FC(F)(F)COC(=O)N1C2CCC1CN(C2)c1ncc(OCc2ccncc2C#N)cn1
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| InChI |
InChI=1S/C20H19F3N6O3/c21-20(22,23)12-32-19(30)29-15-1-2-16(29)10-28(9-15)18-26-7-17(8-27-18)31-11-13-3-4-25-6-14(13)5-24/h3-4,6-8,15-16H,1-2,9-12H2
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| InChIKey |
SFQBQYYGWHSCJC-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: PT02455, Glucose-dependent insulinotropic receptor
Protein ID: PT02398, Glucose-dependent insulinotropic receptor