General Information of the Compound
| Compound ID |
CP0502314
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| Compound Name |
1-{3-[(6-Fluoro-1,1-dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-pheny l-amino]-2,2-dimethyl-propyl}-3-methyl-urea
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| Structure |
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| Formula |
C20H23FN4O3S
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| Molecular Weight |
418.494
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| Canonical SMILES |
CNC(=O)NCC(C)(C)CN(C1=NS(=O)(=O)c2cc(F)ccc12)c1ccccc1
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| InChI |
InChI=1S/C20H23FN4O3S/c1-20(2,12-23-19(26)22-3)13-25(15-7-5-4-6-8-15)18-16-10-9-14(21)11-17(16)29(27,28)24-18/h4-11H,12-13H2,1-3H3,(H2,22,23,26)
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| InChIKey |
HSWJTAXQAMICQP-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