General Information of the Compound
| Compound ID |
CP0501548
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| Compound Name |
1-(5-chloropyridin-2-yl)-1'-(4-(methylsulfonyl)phenyl)-4,4'-bipiperidine
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| Structure |
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| Formula |
C22H28ClN3O2S
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| Molecular Weight |
434.005
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)c1ccc(Cl)cn1
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| InChI |
InChI=1S/C22H28ClN3O2S/c1-29(27,28)21-5-3-20(4-6-21)25-12-8-17(9-13-25)18-10-14-26(15-11-18)22-7-2-19(23)16-24-22/h2-7,16-18H,8-15H2,1H3
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| InChIKey |
CQGOOXRESMDIBQ-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