General Information of the Compound
| Compound ID |
CP0246804
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| Compound Name |
2-[4-[2-[(1S,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone
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| Structure |
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| Formula |
C25H30ClFN4O3
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| Molecular Weight |
488.991
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| Canonical SMILES |
OC1CN(C1)C(=O)Cc1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)cc1F
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| InChI |
InChI=1S/C25H30ClFN4O3/c26-19-12-28-25(29-13-19)30-6-3-16(4-7-30)22-9-17(22)5-8-34-21-2-1-18(23(27)11-21)10-24(33)31-14-20(32)15-31/h1-2,11-13,16-17,20,22,32H,3-10,14-15H2/t17-,22-/m1/s1
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| InChIKey |
XMOYYCWQRAWENX-VGOFRKELSA-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