General Information of the Compound
| Compound ID |
CP0457666
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| Compound Name |
US10028961, Compound 405
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| Structure |
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| Formula |
C20H15F8N7
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| Molecular Weight |
505.373
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| Canonical SMILES |
FC(F)(F)c1cncc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)c1
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| InChI |
InChI=1S/C20H15F8N7/c21-18(22)5-4-11(7-18)30-16-33-15(13-2-1-3-14(32-13)20(26,27)28)34-17(35-16)31-12-6-10(8-29-9-12)19(23,24)25/h1-3,6,8-9,11H,4-5,7H2,(H2,30,31,33,34,35)
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| InChIKey |
LRFCOIWENOAQEZ-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