General Information of the Compound
| Compound ID |
CP0401745
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| Compound Name |
US10028961, Compound 139
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| Structure |
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| Formula |
C19H14F6N6
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| Molecular Weight |
440.351
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| Canonical SMILES |
Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2nc(F)ccc2F)c1
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| InChI |
InChI=1S/C19H14F6N6/c20-9-5-10(21)7-12(6-9)27-18-30-16(15-13(22)1-2-14(23)28-15)29-17(31-18)26-11-3-4-19(24,25)8-11/h1-2,5-7,11H,3-4,8H2,(H2,26,27,29,30,31)
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| InChIKey |
NODRFDKTDCPLDT-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