General Information of the Compound
| Compound ID |
CP0476928
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| Compound Name |
US10028961, Compound 362
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| Structure |
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| Formula |
C22H17F5N8
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| Molecular Weight |
488.424
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| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NCC2CC2(F)F)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
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| InChI |
InChI=1S/C22H17F5N8/c23-21(24)9-12(21)10-30-18-33-17(14-2-1-3-15(32-14)22(25,26)27)34-19(35-18)31-13-4-7-29-16(8-13)20(11-28)5-6-20/h1-4,7-8,12H,5-6,9-10H2,(H2,29,30,31,33,34,35)
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| InChIKey |
UHAUZFGASUNLGF-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