General Information of the Compound
| Compound ID |
CP0351387
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| Compound Name |
2-[1-(4-tert-Butyl-benzenesulfonyl)-piperidin-4-yl]-5-chloro-1H-benzoimidazole
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| Structure |
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| Formula |
C22H26ClN3O2S
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| Molecular Weight |
431.989
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nc2ccc(Cl)cc2[nH]1
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| InChI |
InChI=1S/C22H26ClN3O2S/c1-22(2,3)16-4-7-18(8-5-16)29(27,28)26-12-10-15(11-13-26)21-24-19-9-6-17(23)14-20(19)25-21/h4-9,14-15H,10-13H2,1-3H3,(H,24,25)
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| InChIKey |
GNZOGHIBRLASHC-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