General Information of the Compound
| Compound ID |
CP0450653
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| Compound Name |
US10028961, Compound 122
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| Structure |
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| Formula |
C18H11F6N7S
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| Molecular Weight |
471.39
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| Canonical SMILES |
Fc1cc(Nc2nc(NC3CC(F)(F)C3)nc(n2)-c2nc(cs2)C(F)(F)F)cc(c1)C#N
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| InChI |
InChI=1S/C18H11F6N7S/c19-9-1-8(6-25)2-10(3-9)26-15-29-13(14-28-12(7-32-14)18(22,23)24)30-16(31-15)27-11-4-17(20,21)5-11/h1-3,7,11H,4-5H2,(H2,26,27,29,30,31)
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| InChIKey |
MHTOHBOHQAYWJP-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: PT03648, Isocitrate dehydrogenase [NADP], mitochondrial