General Information of the Compound
| Compound ID |
CP0378657
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| Compound Name |
2-[(3R)-3-methyl-4-[5-[[4-(methylsulfonylmethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C21H23F3N6O4S
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| Molecular Weight |
512.514
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2)cn1)c1nnc(o1)C(F)(F)F
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| InChI |
InChI=1S/C21H23F3N6O4S/c1-14-11-29(20-28-27-18(34-20)21(22,23)24)7-8-30(14)19-25-9-17(10-26-19)33-12-15-3-5-16(6-4-15)13-35(2,31)32/h3-6,9-10,14H,7-8,11-13H2,1-2H3/t14-/m1/s1
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| InChIKey |
IDFYVOMBWZBNGK-CQSZACIVSA-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