General Information of the Compound
| Compound ID |
CP0949268
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| Compound Name |
(R)-((S)-tetrahydrofuran-3-yl)4-(5-((3-cyanopyridin-4-yl)methoxy)pyrimidin-2-yl)-3-methylpiperazine-1-carboxylate
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| Structure |
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| Formula |
C21H24N6O4
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| Molecular Weight |
424.461
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| Canonical SMILES |
C[C@@H]1CN(C(=O)O[C@H]2CCOC2)CCN1c1ncc(OCc2ccncc2C#N)cn1
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| InChI |
InChI=1S/C21H24N6O4/c1-15-12-26(21(28)31-18-3-7-29-14-18)5-6-27(15)20-24-10-19(11-25-20)30-13-16-2-4-23-9-17(16)8-22/h2,4,9-11,15,18H,3,5-7,12-14H2,1H3/t15-,18+/m1/s1
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| InChIKey |
ZUDZPIGJFSGJEW-QAPCUYQASA-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