General Information of the Compound
| Compound ID |
CP0412018
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| Compound Name |
US10028961, Compound 210
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| Structure |
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| Formula |
C17H12F5N9
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| Molecular Weight |
437.336
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| Canonical SMILES |
FC(F)(F)c1ccn(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C#N)n1
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| InChI |
InChI=1S/C17H12F5N9/c18-16(19)6-11(7-16)26-14-27-13(25-9-1-3-24-10(5-9)8-23)28-15(29-14)31-4-2-12(30-31)17(20,21)22/h1-5,11H,6-7H2,(H2,24,25,26,27,28,29)
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| InChIKey |
UDPIYDLIPGHOFT-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