General Information of the Compound
| Compound ID |
CP0415950
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| Compound Name |
5-[(3R)-4-[5-[[2-fluoro-4-(methylsulfonylmethyl)phenyl]methoxy]pyrimidin-2-yl]-3-methylpiperazin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C23H29FN6O4S
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| Molecular Weight |
504.588
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| Canonical SMILES |
CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1
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| InChI |
InChI=1S/C23H29FN6O4S/c1-15(2)21-27-23(34-28-21)29-7-8-30(16(3)12-29)22-25-10-19(11-26-22)33-13-18-6-5-17(9-20(18)24)14-35(4,31)32/h5-6,9-11,15-16H,7-8,12-14H2,1-4H3/t16-/m1/s1
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| InChIKey |
HGOCZXVINVMQGD-MRXNPFEDSA-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