General Information of the Compound
| Compound ID |
CP0411264
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| Compound Name |
[3-fluoro-4-[[2-[(2R)-2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]pyrimidin-5-yl]oxymethyl]phenyl] methanesulfonate
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| Structure |
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| Formula |
C20H20F4N6O5S
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| Molecular Weight |
532.476
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(OS(C)(=O)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F
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| InChI |
InChI=1S/C20H20F4N6O5S/c1-12-10-29(19-28-27-17(34-19)20(22,23)24)5-6-30(12)18-25-8-15(9-26-18)33-11-13-3-4-14(7-16(13)21)35-36(2,31)32/h3-4,7-9,12H,5-6,10-11H2,1-2H3/t12-/m1/s1
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| InChIKey |
UTOPRESBQKAWRB-GFCCVEGCSA-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