General Information of the Compound
| Compound ID |
CP0917214
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| Compound Name |
(1R,5R)-isopropyl 3-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
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| Formula |
C22H26N4O4
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| Molecular Weight |
410.474
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| Canonical SMILES |
Cc1ncccc1Oc1ncnc(O[C@H]2C[C@H]3C=C[C@@H](C2)N3C(=O)OC(C)C)c1C
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| InChI |
InChI=1S/C22H26N4O4/c1-13(2)28-22(27)26-16-7-8-17(26)11-18(10-16)29-20-14(3)21(25-12-24-20)30-19-6-5-9-23-15(19)4/h5-9,12-13,16-18H,10-11H2,1-4H3/t16-,17+,18+
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| InChIKey |
SQYOFLMCCJPQHI-PIIMJCKOSA-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