General Information of the Compound
| Compound ID |
CP0223342
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| Compound Name |
ethyl 2-[[3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinolin-6-yl]amino]acetate
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| Structure |
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| Formula |
C25H28N4O6S
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| Molecular Weight |
512.588
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| Canonical SMILES |
CCOC(=O)CNc1ccc2n(CCC(C)C)c(=O)c(C3=Nc4ccccc4S(=O)(=O)N3)c(O)c2c1
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| InChI |
InChI=1S/C25H28N4O6S/c1-4-35-21(30)14-26-16-9-10-19-17(13-16)23(31)22(25(32)29(19)12-11-15(2)3)24-27-18-7-5-6-8-20(18)36(33,34)28-24/h5-10,13,15,26,31H,4,11-12,14H2,1-3H3,(H,27,28)
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| InChIKey |
OGFBGXULTNAQFC-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