General Information of the Compound
| Compound ID |
CP0471769
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| Compound Name |
US10028961, Compound 369
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| Structure |
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| Formula |
C19H14F7N7
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| Molecular Weight |
473.356
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| Canonical SMILES |
Fc1cc(F)cc(Nc2nc(N[C@@H]3CCC(F)(F)C3)nc(n2)-c2cncc(n2)C(F)(F)F)c1
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| InChI |
InChI=1S/C19H14F7N7/c20-9-3-10(21)5-12(4-9)29-17-32-15(13-7-27-8-14(30-13)19(24,25)26)31-16(33-17)28-11-1-2-18(22,23)6-11/h3-5,7-8,11H,1-2,6H2,(H2,28,29,31,32,33)/t11-/m1/s1
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| InChIKey |
ZPNAECASCHOTOG-LLVKDONJSA-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