General Information of the Compound
| Compound ID |
CP0473723
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| Compound Name |
US10028961, Compound 343
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| Structure |
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| Formula |
C19H14F8N8
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| Molecular Weight |
506.361
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| Canonical SMILES |
FC(F)(F)c1cc(Nc2nc(N[C@H]3CCC(F)(F)C3)nc(n2)-c2ccnc(n2)C(F)(F)F)ccn1
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| InChI |
InChI=1S/C19H14F8N8/c20-17(21)4-1-10(8-17)31-16-34-13(11-3-6-29-14(32-11)19(25,26)27)33-15(35-16)30-9-2-5-28-12(7-9)18(22,23)24/h2-3,5-7,10H,1,4,8H2,(H2,28,30,31,33,34,35)/t10-/m0/s1
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| InChIKey |
AZYHZXGJDLEMHT-JTQLQIEISA-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