General Information of the Compound
| Compound ID |
CP0453350
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| Compound Name |
(1-methylcyclopropyl) 9-[6-(2-chloro-4-cyanoanilino)-5-methylpyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
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| Structure |
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| Formula |
C24H26ClN5O4
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| Molecular Weight |
483.956
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| Canonical SMILES |
Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)C(=O)OC1(C)CC1
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| InChI |
InChI=1S/C24H26ClN5O4/c1-14-21(29-19-4-3-15(8-26)7-18(19)25)27-13-28-22(14)33-20-16-9-30(10-17(20)12-32-11-16)23(31)34-24(2)5-6-24/h3-4,7,13,16-17,20H,5-6,9-12H2,1-2H3,(H,27,28,29)
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| InChIKey |
ODKWOPBKCDCLCQ-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