General Information of the Compound
| Compound ID |
CP0422030
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| Compound Name |
1-(5-chloropyrimidin-2-yl)-1'-(4-(methylsulfonyl)phenyl)-4,4'-bipiperidine
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| Structure |
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| Formula |
C21H27ClN4O2S
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| Molecular Weight |
434.993
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)c1ncc(Cl)cn1
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| InChI |
InChI=1S/C21H27ClN4O2S/c1-29(27,28)20-4-2-19(3-5-20)25-10-6-16(7-11-25)17-8-12-26(13-9-17)21-23-14-18(22)15-24-21/h2-5,14-17H,6-13H2,1H3
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| InChIKey |
PYPROMLQJSTKNW-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