General Information of the Compound
| Compound ID |
CP0378659
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| Compound Name |
5-methylsulfonyl-2-[[2-[(2R)-2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]pyrimidin-5-yl]oxymethyl]benzonitrile
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| Structure |
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| Formula |
C21H20F3N7O4S
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| Molecular Weight |
523.497
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2C#N)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F
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| InChI |
InChI=1S/C21H20F3N7O4S/c1-13-11-30(20-29-28-18(35-20)21(22,23)24)5-6-31(13)19-26-9-16(10-27-19)34-12-14-3-4-17(36(2,32)33)7-15(14)8-25/h3-4,7,9-10,13H,5-6,11-12H2,1-2H3/t13-/m1/s1
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| InChIKey |
YPZUCWRGPJUFCO-CYBMUJFWSA-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