General Information of the Compound
| Compound ID |
CP0447464
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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]phenyl]ethanone
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| Structure |
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| Formula |
C25H31ClN4O2
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| Molecular Weight |
455.002
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| Canonical SMILES |
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(CC(=O)N2CCC2)cc1
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| InChI |
InChI=1S/C25H31ClN4O2/c26-21-16-27-25(28-17-21)30-11-6-19(7-12-30)23-15-20(23)8-13-32-22-4-2-18(3-5-22)14-24(31)29-9-1-10-29/h2-5,16-17,19-20,23H,1,6-15H2/t20-,23-/m1/s1
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| InChIKey |
JZWNOQPPTJNKSF-NFBKMPQASA-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