General Information of the Compound
| Compound ID |
CP0515235
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| Compound Name |
tert-butyl 8-[5-[(4-methylsulfonylphenyl)methoxy]pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
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| Structure |
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| Formula |
C23H30N4O5S
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| Molecular Weight |
474.583
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1
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| InChI |
InChI=1S/C23H30N4O5S/c1-23(2,3)32-22(28)26-13-17-7-8-18(14-26)27(17)21-24-11-19(12-25-21)31-15-16-5-9-20(10-6-16)33(4,29)30/h5-6,9-12,17-18H,7-8,13-15H2,1-4H3
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| InChIKey |
BJEUXFJYQJIXBY-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