General Information of the Compound
| Compound ID |
CP0125193
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| Compound Name |
2-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
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| Structure |
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| Formula |
C23H17F2N3O4S2
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| Molecular Weight |
501.536
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)n1
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| InChI |
InChI=1S/C23H17F2N3O4S2/c1-32-15-8-6-14(7-9-15)21-13-33-23(26-21)27-22(29)17-4-2-3-5-20(17)28-34(30,31)16-10-11-18(24)19(25)12-16/h2-13,28H,1H3,(H,26,27,29)
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| InChIKey |
CUQBLPWFKHAAND-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8