General Information of the Compound
| Compound ID |
CP0477106
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| Compound Name |
US10028961, Compound 379
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| Structure |
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| Formula |
C17H13F6N7S
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| Molecular Weight |
461.395
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| Canonical SMILES |
FC(F)(F)c1csc(n1)-c1nc(NCC2CC2)nc(Nc2ccnc(c2)C(F)(F)F)n1
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| InChI |
InChI=1S/C17H13F6N7S/c18-16(19,20)10-5-9(3-4-24-10)26-15-29-12(13-27-11(7-31-13)17(21,22)23)28-14(30-15)25-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H2,24,25,26,28,29,30)
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| InChIKey |
KUPZRBAQHZPHES-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