General Information of the Compound
| Compound ID |
CP0514261
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| Compound Name |
4-(3,4-Dimethoxy-phenyl)-2-(3-ethyl-pentyl)-5,6,7-trimethoxy-quinoline-3-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C30H39NO7
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| Molecular Weight |
525.642
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| Canonical SMILES |
CCOC(=O)c1c(CCC(CC)CC)nc2cc(OC)c(OC)c(OC)c2c1-c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C30H39NO7/c1-9-18(10-2)12-14-20-27(30(32)38-11-3)25(19-13-15-22(33-4)23(16-19)34-5)26-21(31-20)17-24(35-6)28(36-7)29(26)37-8/h13,15-18H,9-12,14H2,1-8H3
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| InChIKey |
ZIMBPCVXFGLLSJ-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