General Information of the Compound
| Compound ID |
CP0406761
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| Compound Name |
1-(azetidin-1-yl)-2-[4-[2-[(1S,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-fluorophenyl]ethanone
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| Structure |
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| Formula |
C25H30ClFN4O2
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| Molecular Weight |
472.992
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| Canonical SMILES |
Fc1cc(CC(=O)N2CCC2)ccc1OCC[C@@H]1C[C@@H]1C1CCN(CC1)c1ncc(Cl)cn1
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| InChI |
InChI=1S/C25H30ClFN4O2/c26-20-15-28-25(29-16-20)31-9-4-18(5-10-31)21-14-19(21)6-11-33-23-3-2-17(12-22(23)27)13-24(32)30-7-1-8-30/h2-3,12,15-16,18-19,21H,1,4-11,13-14H2/t19-,21-/m1/s1
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| InChIKey |
URJCFTFWQZOXMS-TZIWHRDSSA-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: PT02398, Glucose-dependent insulinotropic receptor
Protein ID: PT02455, Glucose-dependent insulinotropic receptor