General Information of the Compound
| Compound ID |
CP0406105
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| Compound Name |
(1-methylcyclopropyl) 9-[6-(2-chloro-4-cyanoanilino)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
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| Structure |
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| Formula |
C23H24ClN5O4
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| Molecular Weight |
469.929
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| Canonical SMILES |
CC1(CC1)OC(=O)N1CC2COCC(C1)C2Oc1cc(Nc2ccc(cc2Cl)C#N)ncn1
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| InChI |
InChI=1S/C23H24ClN5O4/c1-23(4-5-23)33-22(30)29-9-15-11-31-12-16(10-29)21(15)32-20-7-19(26-13-27-20)28-18-3-2-14(8-25)6-17(18)24/h2-3,6-7,13,15-16,21H,4-5,9-12H2,1H3,(H,26,27,28)
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| InChIKey |
JLJVLLNZCMNSLJ-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