General Information of the Compound
| Compound ID |
CP0401869
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| Compound Name |
US10028961, Compound 124
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| Structure |
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| Formula |
C21H15F6N7
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| Molecular Weight |
479.388
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| Canonical SMILES |
Fc1cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)cc(c1)C#N
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| InChI |
InChI=1S/C21H15F6N7/c22-12-6-11(10-28)7-14(8-12)30-19-33-17(15-2-1-3-16(31-15)21(25,26)27)32-18(34-19)29-13-4-5-20(23,24)9-13/h1-3,6-8,13H,4-5,9H2,(H2,29,30,32,33,34)
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| InChIKey |
NTKHRYLRDAXKRH-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