General Information of the Compound
| Compound ID |
CP0473727
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| Compound Name |
US10946023, Compound 132
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| Structure |
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| Formula |
C19H13F6N7S
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| Molecular Weight |
485.417
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| Canonical SMILES |
Fc1cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2nc(cs2)C(F)(F)F)cc(c1)C#N
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| InChI |
InChI=1S/C19H13F6N7S/c20-10-3-9(7-26)4-12(5-10)28-17-31-14(15-29-13(8-33-15)19(23,24)25)30-16(32-17)27-11-1-2-18(21,22)6-11/h3-5,8,11H,1-2,6H2,(H2,27,28,30,31,32)
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| InChIKey |
HEXHOBDGLUOWPL-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