General Information of the Compound
| Compound ID |
CP0505552
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| Compound Name |
3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol-5-yl)methyl]-6-(3-hydroxypropoxy)-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
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| Structure |
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| Formula |
C31H29NO9
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| Molecular Weight |
559.571
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| Canonical SMILES |
CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCCCO)ccc12
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| InChI |
InChI=1S/C31H29NO9/c1-2-19-13-26-27(41-17-40-26)14-21(19)16-32-25-8-7-22(39-10-4-9-33)15-23(25)29(34)24(28(32)31(37)38)12-18-5-3-6-20(11-18)30(35)36/h3,5-8,11,13-15,33H,2,4,9-10,12,16-17H2,1H3,(H,35,36)(H,37,38)
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| InChIKey |
LKDZAJCVVWLFTK-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