General Information of the Compound
| Compound ID |
CP0210925
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| Compound Name |
(1-methylcyclopropyl) 4-[5-cyano-4-[[2-fluoro-4-(1-methyltetrazol-5-yl)phenoxy]methyl]pyrazol-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H25FN8O3
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| Molecular Weight |
480.504
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| Canonical SMILES |
Cn1nnnc1-c1ccc(OCc2cnn(C3CCN(CC3)C(=O)OC3(C)CC3)c2C#N)c(F)c1
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| InChI |
InChI=1S/C23H25FN8O3/c1-23(7-8-23)35-22(33)31-9-5-17(6-10-31)32-19(12-25)16(13-26-32)14-34-20-4-3-15(11-18(20)24)21-27-28-29-30(21)2/h3-4,11,13,17H,5-10,14H2,1-2H3
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| InChIKey |
UWEWDAUOURLDRE-UHFFFAOYSA-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