General Information of the Compound
| Compound ID |
CP0910358
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| Compound Name |
6-((1S,5S)-8-(cyclopropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yloxy)-N-(2-fluoro-4-(methylsulfonyl)phenyl)-5-methylpyrimidin-4-amine
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| Formula |
C22H27FN4O5S2
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| Molecular Weight |
510.613
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| Canonical SMILES |
Cc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1O[C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1
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| InChI |
InChI=1S/C22H27FN4O5S2/c1-13-21(26-20-8-7-18(11-19(20)23)33(2,28)29)24-12-25-22(13)32-16-9-14-3-4-15(10-16)27(14)34(30,31)17-5-6-17/h7-8,11-12,14-17H,3-6,9-10H2,1-2H3,(H,24,25,26)/t14-,15+,16+
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| InChIKey |
PLYKTOLQBIXXGU-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