General Information of the Compound
| Compound ID |
CP0401868
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| Compound Name |
US10028961, Compound 108
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| Structure |
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| Formula |
C18H14F7N7
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| Molecular Weight |
461.345
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| Canonical SMILES |
Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-n2ccc(n2)C(F)(F)F)c1
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| InChI |
InChI=1S/C18H14F7N7/c19-9-5-10(20)7-12(6-9)27-15-28-14(26-11-1-3-17(21,22)8-11)29-16(30-15)32-4-2-13(31-32)18(23,24)25/h2,4-7,11H,1,3,8H2,(H2,26,27,28,29,30)
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| InChIKey |
UFZDFINJOJHYMD-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