General Information of the Compound
| Compound ID |
CP0373405
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| Compound Name |
1-(4-(methylsulfonyl)phenyl)-1'-(pyrazin-2-yl)-4,4'-bipiperidine
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| Structure |
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| Formula |
C21H28N4O2S
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| Molecular Weight |
400.548
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)c1cnccn1
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| InChI |
InChI=1S/C21H28N4O2S/c1-28(26,27)20-4-2-19(3-5-20)24-12-6-17(7-13-24)18-8-14-25(15-9-18)21-16-22-10-11-23-21/h2-5,10-11,16-18H,6-9,12-15H2,1H3
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| InChIKey |
AZYQJKQMRSQAAQ-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