General Information of the Compound
| Compound ID |
CP0847542
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| Compound Name |
(1S,5S)-3-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-8-(2,2,2-trifluoroethylsulfonyl)-8-azabicyclo[3.2.1]octane
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| Formula |
C20H23F3N4O4S
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| Molecular Weight |
472.489
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| Canonical SMILES |
Cc1ncccc1Oc1ncnc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)CC(F)(F)F)c1C
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| InChI |
InChI=1S/C20H23F3N4O4S/c1-12-18(25-11-26-19(12)31-17-4-3-7-24-13(17)2)30-16-8-14-5-6-15(9-16)27(14)32(28,29)10-20(21,22)23/h3-4,7,11,14-16H,5-6,8-10H2,1-2H3/t14-,15+,16+
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| InChIKey |
UHLGXERNEUPQIX-ZSHCYNCHSA-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