General Information of the Compound
| Compound ID |
CP0421711
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| Compound Name |
ethyl 4-[4-(2-cyanophenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
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| Formula |
C24H24N4O3
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| Molecular Weight |
416.481
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| Canonical SMILES |
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1C#N
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| InChI |
InChI=1S/C24H24N4O3/c1-3-31-24(29)19-16-26-22-18(8-6-10-21(22)30-2)23(19)28-13-11-27(12-14-28)20-9-5-4-7-17(20)15-25/h4-10,16H,3,11-14H2,1-2H3
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| InChIKey |
VFZWYABDVRRLAO-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