General Information of the Compound
| Compound ID |
CP0416312
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| Compound Name |
3-chloro-4-[[6-[(9-cyclopropylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)oxy]-5-methylpyrimidin-4-yl]amino]benzonitrile
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| Structure |
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| Formula |
C22H24ClN5O4S
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| Molecular Weight |
489.985
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| Canonical SMILES |
Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1CC2COCC(C1)N2S(=O)(=O)C1CC1
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| InChI |
InChI=1S/C22H24ClN5O4S/c1-13-21(27-20-5-2-14(9-24)6-19(20)23)25-12-26-22(13)32-17-7-15-10-31-11-16(8-17)28(15)33(29,30)18-3-4-18/h2,5-6,12,15-18H,3-4,7-8,10-11H2,1H3,(H,25,26,27)
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| InChIKey |
JWHKXNLBDHGTSF-UHFFFAOYSA-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