General Information of the Compound
| Compound ID |
CP0848045
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| Compound Name |
SID103075820
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| Structure |
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| Formula |
C26H23F3N4OS
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| Molecular Weight |
496.558
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| Canonical SMILES |
NC(Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2Cc2ccccc2)n1
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| InChI |
InChI=1S/C26H23F3N4OS/c27-26(28,29)20-12-10-18(11-13-20)15-21(30)23-16-35-25(32-23)33-24(34)31-22-9-5-4-8-19(22)14-17-6-2-1-3-7-17/h1-13,16,21H,14-15,30H2,(H2,31,32,33,34)
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| InChIKey |
ZJQWQRBZVZXXCU-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3