General Information of the Compound
| Compound ID |
CP0548541
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| Compound Name |
6-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C21H26N4O2S
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| Molecular Weight |
398.532
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
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| InChI |
InChI=1S/C21H26N4O2S/c1-21(2,3)17-5-7-19(8-6-17)28(26,27)25-12-10-18(11-13-25)24-20-9-4-16(14-22)15-23-20/h4-9,15,18H,10-13H2,1-3H3,(H,23,24)
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| InChIKey |
KELNVYZHKZLNGQ-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