General Information of the Compound
| Compound ID |
CP0485657
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| Compound Name |
2,4-difluoro-N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]pyridin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C25H19F2N3O4S2
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| Molecular Weight |
527.574
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| Canonical SMILES |
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc(s1)-c1ccc2C(=O)N(C)Cc2c1
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| InChI |
InChI=1S/C25H19F2N3O4S2/c1-30-13-16-9-14(3-5-18(16)25(30)31)21-6-7-22(35-21)15-10-20(24(34-2)28-12-15)29-36(32,33)23-8-4-17(26)11-19(23)27/h3-12,29H,13H2,1-2H3
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| InChIKey |
DQWDJLNZAAGTKD-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