General Information of the Compound
| Compound ID |
CP0528421
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| Compound Name |
ethyl 8-methoxy-4-[4-(1,3-thiazol-5-yl)piperazin-1-yl]quinoline-3-carboxylate
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| Formula |
C20H22N4O3S
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| Molecular Weight |
398.488
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| Canonical SMILES |
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1cncs1
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| InChI |
InChI=1S/C20H22N4O3S/c1-3-27-20(25)15-11-22-18-14(5-4-6-16(18)26-2)19(15)24-9-7-23(8-10-24)17-12-21-13-28-17/h4-6,11-13H,3,7-10H2,1-2H3
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| InChIKey |
BXJOJKVVELOMMA-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