General Information of the Compound
| Compound ID |
CP0378664
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| Compound Name |
[3-(trifluoromethyl)oxetan-3-yl] (3R)-4-[5-[[2-fluoro-4-(methylsulfonylmethyl)phenyl]methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
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| Structure |
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| Formula |
C23H26F4N4O6S
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| Molecular Weight |
562.542
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)C(=O)OC1(COC1)C(F)(F)F
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| InChI |
InChI=1S/C23H26F4N4O6S/c1-15-10-30(21(32)37-22(13-35-14-22)23(25,26)27)5-6-31(15)20-28-8-18(9-29-20)36-11-17-4-3-16(7-19(17)24)12-38(2,33)34/h3-4,7-9,15H,5-6,10-14H2,1-2H3/t15-/m1/s1
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| InChIKey |
APOAEXWNXLHNHP-OAHLLOKOSA-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