General Information of the Compound
| Compound ID |
CP0543492
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| Compound Name |
3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol-5-yl)methyl]-6-sec-butoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
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| Structure |
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| Formula |
C32H31NO8
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| Molecular Weight |
557.599
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| Canonical SMILES |
CCC(C)Oc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1
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| InChI |
InChI=1S/C32H31NO8/c1-4-18(3)41-23-9-10-26-24(15-23)30(34)25(12-19-7-6-8-21(11-19)31(35)36)29(32(37)38)33(26)16-22-14-28-27(39-17-40-28)13-20(22)5-2/h6-11,13-15,18H,4-5,12,16-17H2,1-3H3,(H,35,36)(H,37,38)
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| InChIKey |
BLQQLPGJOJAEKZ-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