General Information of the Compound
| Compound ID |
CP0489135
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| Compound Name |
2,4-difluoro-N-methyl-N-[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 |
C25H19F2N3O3S2
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| Molecular Weight |
511.575
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| Canonical SMILES |
CN(c1cncc(c1)-c1ccc(s1)-c1ccc2C(=O)N(C)Cc2c1)S(=O)(=O)c1ccc(F)cc1F
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| InChI |
InChI=1S/C25H19F2N3O3S2/c1-29-14-17-9-15(3-5-20(17)25(29)31)22-6-7-23(34-22)16-10-19(13-28-12-16)30(2)35(32,33)24-8-4-18(26)11-21(24)27/h3-13H,14H2,1-2H3
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| InChIKey |
FFRXDRUOPOVVJK-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