General Information of the Compound
| Compound ID |
CP0255450
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| Compound Name |
4-[3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinolin-6-yloxy]acetonitrile
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| Structure |
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| Formula |
C23H22N4O5S
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| Molecular Weight |
466.519
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| Canonical SMILES |
CC(C)CCn1c2ccc(OCC#N)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
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| InChI |
InChI=1S/C23H22N4O5S/c1-14(2)9-11-27-18-8-7-15(32-12-10-24)13-16(18)21(28)20(23(27)29)22-25-17-5-3-4-6-19(17)33(30,31)26-22/h3-8,13-14,28H,9,11-12H2,1-2H3,(H,25,26)
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| InChIKey |
QFXIOPUUUDMJAN-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