General Information of the Compound
| Compound ID |
CP0895067
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| Compound Name |
2-(6-((1S,5S)-8-(cyclopropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yloxy)-5-methylpyrimidin-4-yloxy)benzonitrile
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| Formula |
C22H24N4O4S
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| Molecular Weight |
440.525
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| Canonical SMILES |
Cc1c(Oc2ccccc2C#N)ncnc1O[C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1
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| InChI |
InChI=1S/C22H24N4O4S/c1-14-21(24-13-25-22(14)30-20-5-3-2-4-15(20)12-23)29-18-10-16-6-7-17(11-18)26(16)31(27,28)19-8-9-19/h2-5,13,16-19H,6-11H2,1H3/t16-,17+,18+
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| InChIKey |
UAAFTIMHEYCTTN-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