General Information of the Compound
| Compound ID |
CP0514519
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| Compound Name |
tert-butyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
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| Structure |
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| Formula |
C27H32N2O5
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| Molecular Weight |
464.562
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| Canonical SMILES |
CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OC(C)(C)C)c1=O
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| InChI |
InChI=1S/C27H32N2O5/c1-5-6-7-10-17-29-21-12-9-8-11-20(21)23(30)22(25(29)32)24(31)28-19-15-13-18(14-16-19)26(33)34-27(2,3)4/h8-9,11-16,30H,5-7,10,17H2,1-4H3,(H,28,31)
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| InChIKey |
PMOHJLLVOYCGBV-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