General Information of the Compound
| Compound ID |
CP0401785
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| Compound Name |
US10028961, Compound 224
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| Structure |
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| Formula |
C21H24F6N6
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| Molecular Weight |
474.453
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| Canonical SMILES |
FC(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
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| InChI |
InChI=1S/C21H24F6N6/c22-16(23)14-2-1-3-15(30-14)17-31-18(28-12-4-8-20(24,25)9-5-12)33-19(32-17)29-13-6-10-21(26,27)11-7-13/h1-3,12-13,16H,4-11H2,(H2,28,29,31,32,33)
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| InChIKey |
VPZNRBLRTQODKB-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