General Information of the Compound
| Compound ID |
CP0381764
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| Compound Name |
tert-butyl 4-[1-[[2-(4-methylsulfonylphenyl)acetyl]amino]propan-2-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C22H34N2O5S
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| Molecular Weight |
438.59
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| Canonical SMILES |
CC(CNC(=O)Cc1ccc(cc1)S(C)(=O)=O)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C22H34N2O5S/c1-16(18-10-12-24(13-11-18)21(26)29-22(2,3)4)15-23-20(25)14-17-6-8-19(9-7-17)30(5,27)28/h6-9,16,18H,10-15H2,1-5H3,(H,23,25)
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| InChIKey |
SLZVKIRSPIZHMD-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