General Information of the Compound
| Compound ID |
CP0401763
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| Compound Name |
US10028961, Compound 209
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| Structure |
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| Formula |
C16H16F6N6S
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| Molecular Weight |
438.401
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| Canonical SMILES |
CC(F)(F)c1nc(cs1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
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| InChI |
InChI=1S/C16H16F6N6S/c1-14(17,18)11-25-9(6-29-11)10-26-12(23-7-2-15(19,20)3-7)28-13(27-10)24-8-4-16(21,22)5-8/h6-8H,2-5H2,1H3,(H2,23,24,26,27,28)
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| InChIKey |
RGHZRMLVPJRYFM-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