General Information of the Compound
| Compound ID |
CP0406757
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| Compound Name |
1-(azetidin-1-yl)-2-[4-[2-[(1S,2R)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]ethanone
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| Structure |
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| Formula |
C27H35FN4O2
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| Molecular Weight |
466.601
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)c(F)c1
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| InChI |
InChI=1S/C27H35FN4O2/c1-2-19-17-29-27(30-18-19)32-11-6-20(7-12-32)24-14-21(24)8-13-34-23-5-4-22(25(28)16-23)15-26(33)31-9-3-10-31/h4-5,16-18,20-21,24H,2-3,6-15H2,1H3/t21-,24-/m1/s1
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| InChIKey |
WRYOBZALXNKUCQ-ZJSXRUAMSA-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