General Information of the Compound
| Compound ID |
CP0406760
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| Compound Name |
1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
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| Structure |
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| Formula |
C27H35FN4O3
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| Molecular Weight |
482.6
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| Canonical SMILES |
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)c(F)c1
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| InChI |
InChI=1S/C27H35FN4O3/c1-34-18-19-16-29-27(30-17-19)32-10-5-20(6-11-32)24-13-21(24)7-12-35-23-4-3-22(25(28)15-23)14-26(33)31-8-2-9-31/h3-4,15-17,20-21,24H,2,5-14,18H2,1H3/t21-,24-/m1/s1
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| InChIKey |
BUQRHLHTJDMDCG-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