General Information of the Compound
| Compound ID |
CP0523547
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| Compound Name |
3-bromo-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]pyridin-3-yl]-5-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H17BrF3N3O3S2
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| Molecular Weight |
608.461
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| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2cc(Br)cc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C25H17BrF3N3O3S2/c1-32-13-16-6-14(2-3-21(16)24(32)33)22-4-5-23(36-22)15-7-19(12-30-11-15)31-37(34,35)20-9-17(25(27,28)29)8-18(26)10-20/h2-12,31H,13H2,1H3
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| InChIKey |
KZMUAZDDGJPRJS-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