General Information of the Compound
| Compound ID |
CP0465584
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| Compound Name |
ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
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| Formula |
C25H29N3O4
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| Molecular Weight |
435.524
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| Canonical SMILES |
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OCC
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| InChI |
InChI=1S/C25H29N3O4/c1-4-31-21-11-7-6-10-20(21)27-13-15-28(16-14-27)24-18-9-8-12-22(30-3)23(18)26-17-19(24)25(29)32-5-2/h6-12,17H,4-5,13-16H2,1-3H3
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| InChIKey |
XJPXJYQLDMITMD-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