General Information of the Compound
| Compound ID |
CP0379568
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| Compound Name |
3-(3-Carboxybenzyl)-6-(carboxymethoxy)-1-[(6-ethylbenzo[d][1,3]dioxol-5-yl)methyl]-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
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| Structure |
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| Formula |
C30H25NO10
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| Molecular Weight |
559.527
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| Canonical SMILES |
CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC(O)=O)ccc12
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| InChI |
InChI=1S/C30H25NO10/c1-2-17-10-24-25(41-15-40-24)11-19(17)13-31-23-7-6-20(39-14-26(32)33)12-21(23)28(34)22(27(31)30(37)38)9-16-4-3-5-18(8-16)29(35)36/h3-8,10-12H,2,9,13-15H2,1H3,(H,32,33)(H,35,36)(H,37,38)
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| InChIKey |
PCEPXCZCOCDRRI-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