General Information of the Compound
| Compound ID |
CP0450357
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| Compound Name |
(1-methylcyclopropyl) 9-[6-(4-cyano-2-fluoroanilino)-5-methoxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
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| Structure |
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| Formula |
C24H26FN5O5
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| Molecular Weight |
483.5
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| Canonical SMILES |
COc1c(Nc2ccc(cc2F)C#N)ncnc1OC1C2COCC1CN(C2)C(=O)OC1(C)CC1
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| InChI |
InChI=1S/C24H26FN5O5/c1-24(5-6-24)35-23(31)30-9-15-11-33-12-16(10-30)19(15)34-22-20(32-2)21(27-13-28-22)29-18-4-3-14(8-26)7-17(18)25/h3-4,7,13,15-16,19H,5-6,9-12H2,1-2H3,(H,27,28,29)
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| InChIKey |
DLTGSAWGCDANNP-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
Protein ID: PT02398, Glucose-dependent insulinotropic receptor