General Information of the Compound
| Compound ID |
CP0465582
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| Compound Name |
ethyl 8-methoxy-4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]quinoline-3-carboxylate
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| Formula |
C24H27N3O3S
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| Molecular Weight |
437.565
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| Canonical SMILES |
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1SC
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| InChI |
InChI=1S/C24H27N3O3S/c1-4-30-24(28)18-16-25-22-17(8-7-10-20(22)29-2)23(18)27-14-12-26(13-15-27)19-9-5-6-11-21(19)31-3/h5-11,16H,4,12-15H2,1-3H3
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| InChIKey |
NSZXZUKVHXESDP-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