General Information of the Compound
| Compound ID |
CP0501549
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| Compound Name |
2-(4-((1R,2S)-2-(2-(5-(1H-1,2,3-triazol-1-yl)pyridin-2-yloxy)ethyl)cyclopropyl)piperidin-1-yl)-5-chloropyrimidine
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| Structure |
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| Formula |
C21H24ClN7O
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| Molecular Weight |
425.924
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| Canonical SMILES |
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(cn1)-n1ccnn1
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| InChI |
InChI=1S/C21H24ClN7O/c22-17-12-24-21(25-13-17)28-7-3-15(4-8-28)19-11-16(19)5-10-30-20-2-1-18(14-23-20)29-9-6-26-27-29/h1-2,6,9,12-16,19H,3-5,7-8,10-11H2/t16-,19-/m1/s1
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| InChIKey |
SPYYSSJCCWKFGM-VQIMIIECSA-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