General Information of the Compound
| Compound ID |
CP0446222
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| Compound Name |
US10028961, Compound 357
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| Structure |
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| Formula |
C20H24F6N6S
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| Molecular Weight |
494.509
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| Canonical SMILES |
CC(F)(F)c1csc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
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| InChI |
InChI=1S/C20H24F6N6S/c1-18(21,22)13-10-33-15(29-13)14-30-16(27-11-2-6-19(23,24)7-3-11)32-17(31-14)28-12-4-8-20(25,26)9-5-12/h10-12H,2-9H2,1H3,(H2,27,28,30,31,32)
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| InChIKey |
SPXMCXYDNWDRAD-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