General Information of the Compound
| Compound ID |
CP0456339
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| Compound Name |
2-(4-((1R,2S)-2-(2-(4-(1H-1,2,3-triazol-1-yl)phenoxy)ethyl)cyclopropyl)piperidin-1-yl)-5-chloropyrimidine
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| Structure |
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| Formula |
C22H25ClN6O
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| Molecular Weight |
424.936
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| Canonical SMILES |
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(cc1)-n1ccnn1
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| InChI |
InChI=1S/C22H25ClN6O/c23-18-14-24-22(25-15-18)28-9-5-16(6-10-28)21-13-17(21)7-12-30-20-3-1-19(2-4-20)29-11-8-26-27-29/h1-4,8,11,14-17,21H,5-7,9-10,12-13H2/t17-,21-/m1/s1
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| InChIKey |
XCMQGEUINVIVHT-DYESRHJHSA-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