General Information of the Compound
| Compound ID |
CP0472782
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| Compound Name |
3,3-Dimethyl-tetrahydro-pyran-4-carboxylic acid{3-[(6-fluoro-1,1-dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-phenyl-amino]-2,2-dimethyl-propyl}-amide
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| Structure |
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| Formula |
C26H32FN3O4S
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| Molecular Weight |
501.624
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| Canonical SMILES |
CC(C)(CNC(=O)C1CCOCC1(C)C)CN(C1=NS(=O)(=O)c2cc(F)ccc12)c1ccccc1
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| InChI |
InChI=1S/C26H32FN3O4S/c1-25(2,15-28-24(31)21-12-13-34-17-26(21,3)4)16-30(19-8-6-5-7-9-19)23-20-11-10-18(27)14-22(20)35(32,33)29-23/h5-11,14,21H,12-13,15-17H2,1-4H3,(H,28,31)
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| InChIKey |
QAEOUQFGAJVUDB-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