General Information of the Compound
| Compound ID |
CP0847543
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| Compound Name |
2-(6-((1S,5S)-8-(cyclopropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yloxy)-5-methylpyrimidin-4-ylamino)-5-fluorobenzonitrile
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| Formula |
C22H24FN5O3S
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| Molecular Weight |
457.531
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| Canonical SMILES |
Cc1c(Nc2ccc(F)cc2C#N)ncnc1O[C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1
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| InChI |
InChI=1S/C22H24FN5O3S/c1-13-21(27-20-7-2-15(23)8-14(20)11-24)25-12-26-22(13)31-18-9-16-3-4-17(10-18)28(16)32(29,30)19-5-6-19/h2,7-8,12,16-19H,3-6,9-10H2,1H3,(H,25,26,27)/t16-,17+,18+
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| InChIKey |
SQAOFWPVTLZDNS-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