General Information of the Compound
| Compound ID |
CP0873797
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| Compound Name |
methyl 2-(4-(3-(3-oxo-2,3-dihydrobenzofuran-6-ylamino)propyl)piperidin-1-yl)pyrimidine-5-carboxylate
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| Structure |
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| Formula |
C22H26N4O4
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| Molecular Weight |
410.474
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| Canonical SMILES |
COC(=O)c1cnc(N2CCC(CCCNc3ccc4c(c3)OCC4=O)CC2)nc1
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| InChI |
InChI=1S/C22H26N4O4/c1-29-21(28)16-12-24-22(25-13-16)26-9-6-15(7-10-26)3-2-8-23-17-4-5-18-19(27)14-30-20(18)11-17/h4-5,11-13,15,23H,2-3,6-10,14H2,1H3
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| InChIKey |
ISAUICAMOUVWRT-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: PT02398, Glucose-dependent insulinotropic receptor
Protein ID: PT02455, Glucose-dependent insulinotropic receptor