General Information of the Compound
| Compound ID |
CP0470856
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| Compound Name |
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)OCCCC)c1=O
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| InChI |
InChI=1S/C27H32N2O5/c1-3-5-7-10-17-29-22-12-9-8-11-21(22)24(30)23(26(29)32)25(31)28-20-15-13-19(14-16-20)27(33)34-18-6-4-2/h8-9,11-16,30H,3-7,10,17-18H2,1-2H3,(H,28,31)
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| InChIKey |
PEJHGYQZIWQDEI-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