General Information of the Compound
| Compound ID |
CP0515234
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| Compound Name |
4-[[2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C20H22N8O2
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| Molecular Weight |
406.45
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| Canonical SMILES |
CC(C)c1nc(no1)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1
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| InChI |
InChI=1S/C20H22N8O2/c1-14(2)18-25-20(26-30-18)28-7-5-27(6-8-28)19-23-11-17(12-24-19)29-13-15-3-4-22-10-16(15)9-21/h3-4,10-12,14H,5-8,13H2,1-2H3
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| InChIKey |
TVBGGIHNBOONNF-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