General Information of the Compound
| Compound ID |
CP0517883
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| Compound Name |
US10028961, Compound 173
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| Structure |
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| Formula |
C18H14F8N8
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| Molecular Weight |
494.35
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| Canonical SMILES |
FC(F)(F)c1ccn(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
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| InChI |
InChI=1S/C18H14F8N8/c19-16(20)4-1-10(8-16)29-14-30-13(28-9-2-5-27-12(7-9)18(24,25)26)31-15(32-14)34-6-3-11(33-34)17(21,22)23/h2-3,5-7,10H,1,4,8H2,(H2,27,28,29,30,31,32)
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| InChIKey |
RACFSMUYWZWUMF-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