General Information of the Compound
| Compound ID |
CP0055447
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| Compound Name |
2,2,2-trifluoroethyl 4-[5-[(3-cyanopyridin-4-yl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C18H17F3N6O3
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| Molecular Weight |
422.367
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| Canonical SMILES |
FC(F)(F)COC(=O)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1
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| InChI |
InChI=1S/C18H17F3N6O3/c19-18(20,21)12-30-17(28)27-5-3-26(4-6-27)16-24-9-15(10-25-16)29-11-13-1-2-23-8-14(13)7-22/h1-2,8-10H,3-6,11-12H2
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| InChIKey |
VXEVEBMHWZDNOF-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