General Information of the Compound
| Compound ID |
CP0405654
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| Compound Name |
US10028961, Compound 153
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| Structure |
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| Formula |
C19H16F5N7
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| Molecular Weight |
437.376
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| Canonical SMILES |
Nc1ccc(F)c(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2cc(F)cc(F)c2)n1
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| InChI |
InChI=1S/C19H16F5N7/c20-9-5-10(21)7-12(6-9)27-18-30-16(15-13(22)1-2-14(25)28-15)29-17(31-18)26-11-3-4-19(23,24)8-11/h1-2,5-7,11H,3-4,8H2,(H2,25,28)(H2,26,27,29,30,31)
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| InChIKey |
QJZUODUNLOWRRS-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