General Information of the Compound
| Compound ID |
CP0511771
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| Compound Name |
3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol-5-yl)methyl]-6-isopropoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
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| Structure |
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| Formula |
C31H29NO8
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| Molecular Weight |
543.572
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| Canonical SMILES |
CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OC(C)C)ccc12
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| InChI |
InChI=1S/C31H29NO8/c1-4-19-12-26-27(39-16-38-26)13-21(19)15-32-25-9-8-22(40-17(2)3)14-23(25)29(33)24(28(32)31(36)37)11-18-6-5-7-20(10-18)30(34)35/h5-10,12-14,17H,4,11,15-16H2,1-3H3,(H,34,35)(H,36,37)
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| InChIKey |
WAOUMQDGIOSVAF-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