General Information of the Compound
| Compound ID |
CP0401787
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| Compound Name |
US10028961, Compound 260
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| Structure |
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| Formula |
C20H16F6N6
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| Molecular Weight |
454.378
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| Canonical SMILES |
Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)CC3)nc(n2)-c2nc(F)ccc2F)c1
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| InChI |
InChI=1S/C20H16F6N6/c21-10-7-11(22)9-13(8-10)28-19-31-17(16-14(23)1-2-15(24)29-16)30-18(32-19)27-12-3-5-20(25,26)6-4-12/h1-2,7-9,12H,3-6H2,(H2,27,28,30,31,32)
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| InChIKey |
KQPYGTOTVLIIEB-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