General Information of the Compound
| Compound ID |
CP0447601
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| Compound Name |
1-Trifluoromethyl-cyclobutanecarboxylic acid{3-[(6-fluoro-1,1-dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-phenyl-amino]2,2dimethylpropyl}amide
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| Structure |
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| Formula |
C24H25F4N3O3S
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| Molecular Weight |
511.541
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| Canonical SMILES |
CC(C)(CNC(=O)C1(CCC1)C(F)(F)F)CN(C1=NS(=O)(=O)c2cc(F)ccc12)c1ccccc1
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| InChI |
InChI=1S/C24H25F4N3O3S/c1-22(2,14-29-21(32)23(11-6-12-23)24(26,27)28)15-31(17-7-4-3-5-8-17)20-18-10-9-16(25)13-19(18)35(33,34)30-20/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3,(H,29,32)
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| InChIKey |
QYICUUHLNRBIMS-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