General Information of the Compound
| Compound ID |
CP0373406
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| Compound Name |
6-(1'-(4-(methylsulfonyl)phenyl)-4,4'-bipiperidin-1-yl)nicotinonitrile
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| Structure |
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| Formula |
C23H28N4O2S
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| Molecular Weight |
424.57
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)C1CCN(CC1)c1ccc(cn1)C#N
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| InChI |
InChI=1S/C23H28N4O2S/c1-30(28,29)22-5-3-21(4-6-22)26-12-8-19(9-13-26)20-10-14-27(15-11-20)23-7-2-18(16-24)17-25-23/h2-7,17,19-20H,8-15H2,1H3
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| InChIKey |
ZAXNJHATRXZXGK-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: PT02398, Glucose-dependent insulinotropic receptor
Protein ID: PT02455, Glucose-dependent insulinotropic receptor