General Information of the Compound
| Compound ID |
CP0016537
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| Compound Name |
7-(4-methylsulfonylphenyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C20H19N3O2S
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| Molecular Weight |
365.458
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| Canonical SMILES |
CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
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| InChI |
InChI=1S/C20H19N3O2S/c1-13(2)23-20-16(11-21)12-22-19-10-15(6-9-18(19)20)14-4-7-17(8-5-14)26(3,24)25/h4-10,12-13H,1-3H3,(H,22,23)
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| InChIKey |
PMODSKYQDPPRFZ-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