General Information of the Compound
| Compound ID |
CP0250386
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| Compound Name |
1-(3,3-dimethylbutyl)-3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-6-(2-hydroxyethylamino)-1H-quinolin-2-one
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| Structure |
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| Formula |
C24H28N4O5S
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| Molecular Weight |
484.578
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| Canonical SMILES |
CC(C)(C)CCn1c2ccc(NCCO)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
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| InChI |
InChI=1S/C24H28N4O5S/c1-24(2,3)10-12-28-18-9-8-15(25-11-13-29)14-16(18)21(30)20(23(28)31)22-26-17-6-4-5-7-19(17)34(32,33)27-22/h4-9,14,25,29-30H,10-13H2,1-3H3,(H,26,27)
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| InChIKey |
LQLKAPCFHXJFPN-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