General Information of the Compound
| Compound ID |
CP0065744
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| Compound Name |
4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C19H17N3O2S
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| Molecular Weight |
351.431
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| Canonical SMILES |
CN(C)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
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| InChI |
InChI=1S/C19H17N3O2S/c1-22(2)19-15(11-20)12-21-18-10-14(6-9-17(18)19)13-4-7-16(8-5-13)25(3,23)24/h4-10,12H,1-3H3
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| InChIKey |
BILKHMZRPSZWEH-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