General Information of the Compound
| Compound ID |
CP0406759
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| Compound Name |
1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
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| Structure |
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| Formula |
C26H35FN4O3
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| Molecular Weight |
470.589
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| Canonical SMILES |
CC(C)c1noc(n1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)c(F)c1
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| InChI |
InChI=1S/C26H35FN4O3/c1-17(2)25-28-26(34-29-25)31-11-6-18(7-12-31)22-14-19(22)8-13-33-21-5-4-20(23(27)16-21)15-24(32)30-9-3-10-30/h4-5,16-19,22H,3,6-15H2,1-2H3/t19-,22-/m1/s1
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| InChIKey |
MKJAKFKVPAVBAI-DENIHFKCSA-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