General Information of the Compound
| Compound ID |
CP0416486
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| Compound Name |
6-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C23H22N4O2S
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| Molecular Weight |
418.522
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| Canonical SMILES |
O=S(=O)(N1CCC(CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C23H22N4O2S/c24-16-18-6-11-23(25-17-18)26-21-12-14-27(15-13-21)30(28,29)22-9-7-20(8-10-22)19-4-2-1-3-5-19/h1-11,17,21H,12-15H2,(H,25,26)
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| InChIKey |
TXDUSJXSAZBDRF-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: PT03815, C-C chemokine receptor type 6
Protein ID: PT00660, C-C chemokine receptor type 6
Protein ID: PT03588, C-C chemokine receptor type 7