General Information of the Compound
| Compound ID |
CP0387415
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| Compound Name |
US10028961, Compound 155
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| Structure |
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| Formula |
C18H20F6N6S
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| Molecular Weight |
466.455
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| Canonical SMILES |
CC(F)(F)c1nc(cs1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
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| InChI |
InChI=1S/C18H20F6N6S/c1-16(19,20)13-27-11(8-31-13)12-28-14(25-9-2-4-17(21,22)6-9)30-15(29-12)26-10-3-5-18(23,24)7-10/h8-10H,2-7H2,1H3,(H2,25,26,28,29,30)
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| InChIKey |
OMZLJEXLAIMEOS-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