General Information of the Compound
| Compound ID |
CP0417926
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| Compound Name |
2-[(3R)-4-[5-[[2-fluoro-4-(methylsulfinylmethyl)phenyl]methoxy]pyrimidin-2-yl]-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C21H22F4N6O3S
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| Molecular Weight |
514.505
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(C[S+](C)[O-])cc2F)cn1)c1nnc(o1)C(F)(F)F
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| InChI |
InChI=1S/C21H22F4N6O3S/c1-13-10-30(20-29-28-18(34-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)33-11-15-4-3-14(7-17(15)22)12-35(2)32/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-,35?/m1/s1
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| InChIKey |
WCQOTOGCXLWYJC-AUJFFYSJSA-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