General Information of the Compound
| Compound ID |
CP0868801
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| Compound Name |
4-((2-((2R)-4-(5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl)-2-methylpiperazin-1-yl)pyrimidin-5-yloxy)methyl)nicotinonitrile
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| Structure |
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| Formula |
C22H24N8O4
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| Molecular Weight |
464.486
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| Canonical SMILES |
C[C@@H]1CN(c2noc(C3COCCO3)n2)CCN1c1ncc(OCc2ccncc2C#N)cn1
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| InChI |
InChI=1S/C22H24N8O4/c1-15-12-29(22-27-20(34-28-22)19-14-31-6-7-32-19)4-5-30(15)21-25-10-18(11-26-21)33-13-16-2-3-24-9-17(16)8-23/h2-3,9-11,15,19H,4-7,12-14H2,1H3/t15-,19?/m1/s1
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| InChIKey |
BDCALHIYMZXLRA-NYRJJRHWSA-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