General Information of the Compound
| Compound ID |
CP0573128
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| Compound Name |
ethyl 8-methoxy-4-(4-thiophen-2-ylpiperazin-1-yl)quinoline-3-carboxylate
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| Formula |
C21H23N3O3S
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| Molecular Weight |
397.5
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| Canonical SMILES |
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1cccs1
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| InChI |
InChI=1S/C21H23N3O3S/c1-3-27-21(25)16-14-22-19-15(6-4-7-17(19)26-2)20(16)24-11-9-23(10-12-24)18-8-5-13-28-18/h4-8,13-14H,3,9-12H2,1-2H3
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| InChIKey |
SSFFNSVEKOVIHB-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