General Information of the Compound
| Compound ID |
CP0099391
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| Compound Name |
1-cyclobutylmethyl-3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-1-1H-quinolin-2-one
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| Structure |
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| Formula |
C21H19N3O4S
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| Molecular Weight |
409.467
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| Canonical SMILES |
Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CC2CCC2)c2ccccc12
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| InChI |
InChI=1S/C21H19N3O4S/c25-19-14-8-1-3-10-16(14)24(12-13-6-5-7-13)21(26)18(19)20-22-15-9-2-4-11-17(15)29(27,28)23-20/h1-4,8-11,13,25H,5-7,12H2,(H,22,23)
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| InChIKey |
BOMHRRVNFJMMGG-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