General Information of the Compound
| Compound ID |
CP0385919
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| Compound Name |
4-[[2-[8-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H24N8O2
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| Molecular Weight |
432.488
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| Canonical SMILES |
CC(C)c1nc(no1)N1C2CCC1CN(C2)c1ncc(OCc2ccncc2C#N)cn1
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| InChI |
InChI=1S/C22H24N8O2/c1-14(2)20-27-22(28-32-20)30-17-3-4-18(30)12-29(11-17)21-25-9-19(10-26-21)31-13-15-5-6-24-8-16(15)7-23/h5-6,8-10,14,17-18H,3-4,11-13H2,1-2H3
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| InChIKey |
XWHMJALQCFBYAY-UHFFFAOYSA-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