General Information of the Compound
| Compound ID |
CP0544241
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| Compound Name |
1-[2-[4-[3-(4-aminophenyl)-7-hydroxy-2-oxo-1H-quinoline-4-carbonyl]phenoxy]ethyl]-6-oxo-2,5-dihydropyridine-3-carboxylic acid
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| Structure |
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| Formula |
C30H25N3O7
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| Molecular Weight |
539.544
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| Canonical SMILES |
Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCN3CC(=CCC3=O)C(O)=O)cc2)c2ccc(O)cc2[nH]c1=O
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| InChI |
InChI=1S/C30H25N3O7/c31-20-6-1-17(2-7-20)26-27(23-11-8-21(34)15-24(23)32-29(26)37)28(36)18-3-9-22(10-4-18)40-14-13-33-16-19(30(38)39)5-12-25(33)35/h1-11,15,34H,12-14,16,31H2,(H,32,37)(H,38,39)
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| InChIKey |
PYCXXPIENKXMHJ-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