General Information of the Compound
| Compound ID |
CP0401747
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| Compound Name |
US10028961, Compound 146
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| Structure |
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| Formula |
C17H18F7N7
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| Molecular Weight |
453.366
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| Canonical SMILES |
FC(F)(F)c1ccn(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
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| InChI |
InChI=1S/C17H18F7N7/c18-15(19)4-1-9(7-15)25-12-27-13(26-10-2-5-16(20,21)8-10)29-14(28-12)31-6-3-11(30-31)17(22,23)24/h3,6,9-10H,1-2,4-5,7-8H2,(H2,25,26,27,28,29)
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| InChIKey |
MLJRZPLHOBYNMG-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