General Information of the Compound
| Compound ID |
CP0915400
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| Compound Name |
(1S,5S)-ethyl 3-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
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| Formula |
C21H26N4O4
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| Molecular Weight |
398.463
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| Canonical SMILES |
CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc(Oc3cccnc3C)c1C)C2
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| InChI |
InChI=1S/C21H26N4O4/c1-4-27-21(26)25-15-7-8-16(25)11-17(10-15)28-19-13(2)20(24-12-23-19)29-18-6-5-9-22-14(18)3/h5-6,9,12,15-17H,4,7-8,10-11H2,1-3H3/t15-,16+,17+
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| InChIKey |
ZJRFPSHTPAIAJZ-FVQHAEBGSA-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