General Information of the Compound
| Compound ID |
CP0574867
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| Compound Name |
N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-2-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide
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| Structure |
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| Formula |
C25H18F3N3O4S2
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| Molecular Weight |
545.564
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| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1ccc(OC(F)(F)F)c(NS(=O)(=O)c2ccccn2)c1
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| InChI |
InChI=1S/C25H18F3N3O4S2/c1-31-14-17-12-15(5-7-18(17)24(31)32)21-9-10-22(36-21)16-6-8-20(35-25(26,27)28)19(13-16)30-37(33,34)23-4-2-3-11-29-23/h2-13,30H,14H2,1H3
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| InChIKey |
VGECFIIZZGDUNT-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