General Information of the Compound
| Compound ID |
CP0106962
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| Compound Name |
(1-methylcyclopropyl) 4-[(1R,2S)-2-[2-[4-[2-(azetidin-1-yl)-2-oxoethyl]-3-fluorophenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C26H35FN2O4
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| Molecular Weight |
458.574
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| Canonical SMILES |
CC1(CC1)OC(=O)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)c(F)c1
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| InChI |
InChI=1S/C26H35FN2O4/c1-26(8-9-26)33-25(31)29-12-5-18(6-13-29)22-15-19(22)7-14-32-21-4-3-20(23(27)17-21)16-24(30)28-10-2-11-28/h3-4,17-19,22H,2,5-16H2,1H3/t19-,22-/m1/s1
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| InChIKey |
HLZBPMJWXRSCQF-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