General Information of the Compound
| Compound ID |
CP0324029
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| Compound Name |
2-[[3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinolin-6-yl]amino]acetic acid
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| Structure |
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| Formula |
C23H24N4O6S
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| Molecular Weight |
484.534
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| Canonical SMILES |
CC(C)CCn1c2ccc(NCC(O)=O)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
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| InChI |
InChI=1S/C23H24N4O6S/c1-13(2)9-10-27-17-8-7-14(24-12-19(28)29)11-15(17)21(30)20(23(27)31)22-25-16-5-3-4-6-18(16)34(32,33)26-22/h3-8,11,13,24,30H,9-10,12H2,1-2H3,(H,25,26)(H,28,29)
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| InChIKey |
DPIWSNGQKVGNKB-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