General Information of the Compound
| Compound ID |
CP0396564
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| Compound Name |
6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C18H20N4O2S
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| Molecular Weight |
356.451
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
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| InChI |
InChI=1S/C18H20N4O2S/c1-14-2-5-17(6-3-14)25(23,24)22-10-8-16(9-11-22)21-18-7-4-15(12-19)13-20-18/h2-7,13,16H,8-11H2,1H3,(H,20,21)
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| InChIKey |
IQFPTDKQZKIGSD-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: PT01070, C-C chemokine receptor type 1
Protein ID: PT00660, C-C chemokine receptor type 6
Protein ID: PT03815, C-C chemokine receptor type 6
Protein ID: PT03588, C-C chemokine receptor type 7