General Information of the Compound
| Compound ID |
CP0387390
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| Compound Name |
US10028961, Compound 407
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| Structure |
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| Formula |
C17H14F6N8
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| Molecular Weight |
444.343
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| Canonical SMILES |
FC(F)(F)c1ccn(n1)-c1nc(NCC2CC2)nc(Nc2ccnc(c2)C(F)(F)F)n1
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| InChI |
InChI=1S/C17H14F6N8/c18-16(19,20)11-4-6-31(30-11)15-28-13(25-8-9-1-2-9)27-14(29-15)26-10-3-5-24-12(7-10)17(21,22)23/h3-7,9H,1-2,8H2,(H2,24,25,26,27,28,29)
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| InChIKey |
LMVUIUXDPQOTEI-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
Cell-based Assay
Protein ID: PT03648, Isocitrate dehydrogenase [NADP], mitochondrial