General Information of the Compound
| Compound ID |
CP0917216
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| Compound Name |
(1S,5S)-8-(butylsulfonyl)-3-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-8-azabicyclo[3.2.1]octane
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| Formula |
C22H30N4O4S
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| Molecular Weight |
446.573
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| Canonical SMILES |
CCCCS(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc(Oc3cccnc3C)c1C)C2
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| InChI |
InChI=1S/C22H30N4O4S/c1-4-5-11-31(27,28)26-17-8-9-18(26)13-19(12-17)29-21-15(2)22(25-14-24-21)30-20-7-6-10-23-16(20)3/h6-7,10,14,17-19H,4-5,8-9,11-13H2,1-3H3/t17-,18+,19+
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| InChIKey |
NSIPJUIYSRQPNL-BWTSREIZSA-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