General Information of the Compound
| Compound ID |
CP0427569
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| Compound Name |
US10028961, Compound 1
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| Structure |
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| Formula |
C17H19F3N6
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| Molecular Weight |
364.375
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| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NCC2CC2)nc(NCC2CC2)n1
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| InChI |
InChI=1S/C17H19F3N6/c18-17(19,20)13-3-1-2-12(23-13)14-24-15(21-8-10-4-5-10)26-16(25-14)22-9-11-6-7-11/h1-3,10-11H,4-9H2,(H2,21,22,24,25,26)
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| InChIKey |
KNDBYTOOVAJFRN-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