General Information of the Compound
| Compound ID |
CP0557855
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| Compound Name |
6-[[1-(4-methoxyphenyl)sulfonylazepan-4-yl]amino]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C19H22N4O3S
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| Molecular Weight |
386.477
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1CCCC(CC1)Nc1ccc(cn1)C#N
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| InChI |
InChI=1S/C19H22N4O3S/c1-26-17-5-7-18(8-6-17)27(24,25)23-11-2-3-16(10-12-23)22-19-9-4-15(13-20)14-21-19/h4-9,14,16H,2-3,10-12H2,1H3,(H,21,22)
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| InChIKey |
NWRQZKFLYJKOLM-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