General Information of the Compound
| Compound ID |
CP0446226
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| Compound Name |
US10028961, Compound 255
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| Structure |
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| Formula |
C20H23F5N6O
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| Molecular Weight |
458.435
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| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NC2CCOCC2)nc(NC2CCC(F)(F)CC2)n1
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| InChI |
InChI=1S/C20H23F5N6O/c21-19(22)8-4-12(5-9-19)26-17-29-16(14-2-1-3-15(28-14)20(23,24)25)30-18(31-17)27-13-6-10-32-11-7-13/h1-3,12-13H,4-11H2,(H2,26,27,29,30,31)
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| InChIKey |
XOGJBAWBFBEDJT-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