General Information of the Compound
| Compound ID |
CP0547908
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| Compound Name |
1-Benzyl-7-chloro-N′dodecanoyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
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| Structure |
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| Formula |
C29H36ClN3O4
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| Molecular Weight |
526.077
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| Canonical SMILES |
CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccccc2)c1=O
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| InChI |
InChI=1S/C29H36ClN3O4/c1-2-3-4-5-6-7-8-9-13-16-25(34)31-32-28(36)26-27(35)23-18-17-22(30)19-24(23)33(29(26)37)20-21-14-11-10-12-15-21/h10-12,14-15,17-19,35H,2-9,13,16,20H2,1H3,(H,31,34)(H,32,36)
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| InChIKey |
VYWSBPSJPPGGCG-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