General Information of the Compound
| Compound ID |
CP0373402
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| Compound Name |
tert-butyl 4-[1-(4-methylsulfanylphenyl)piperidin-4-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C22H34N2O2S
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| Molecular Weight |
390.593
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| Canonical SMILES |
CSc1ccc(cc1)N1CCC(CC1)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C22H34N2O2S/c1-22(2,3)26-21(25)24-15-11-18(12-16-24)17-9-13-23(14-10-17)19-5-7-20(27-4)8-6-19/h5-8,17-18H,9-16H2,1-4H3
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| InChIKey |
PQSOMXBPDSHUJE-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