General Information of the Compound
| Compound ID |
CP0379569
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| Compound Name |
3-(3-carboxybenzyl)-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 |
C28H23NO7
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| Molecular Weight |
485.492
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| Canonical SMILES |
CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2ccccc12
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| InChI |
InChI=1S/C28H23NO7/c1-2-17-12-23-24(36-15-35-23)13-19(17)14-29-22-9-4-3-8-20(22)26(30)21(25(29)28(33)34)11-16-6-5-7-18(10-16)27(31)32/h3-10,12-13H,2,11,14-15H2,1H3,(H,31,32)(H,33,34)
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| InChIKey |
YCDUZUIVJLJHQL-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