General Information of the Compound
| Compound ID |
CP0525447
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| Compound Name |
ethyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
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| Structure |
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| Formula |
C25H28N2O5
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| Molecular Weight |
436.508
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| Canonical SMILES |
CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCC)c1=O
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| InChI |
InChI=1S/C25H28N2O5/c1-3-5-6-9-16-27-20-11-8-7-10-19(20)22(28)21(24(27)30)23(29)26-18-14-12-17(13-15-18)25(31)32-4-2/h7-8,10-15,28H,3-6,9,16H2,1-2H3,(H,26,29)
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| InChIKey |
XKLQBWMCEBUCRR-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