General Information of the Compound
| Compound ID |
CP0405697
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| Compound Name |
US10946023, Compound 394
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| Structure |
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| Formula |
C23H20F5N9
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| Molecular Weight |
517.466
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| Canonical SMILES |
FC(F)(F)c1cncc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
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| InChI |
InChI=1S/C23H20F5N9/c24-22(25)4-1-13(2-5-22)32-19-35-18(15-10-30-11-17(34-15)23(26,27)28)36-20(37-19)33-14-3-8-31-16(9-14)21(12-29)6-7-21/h3,8-11,13H,1-2,4-7H2,(H2,31,32,33,35,36,37)
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| InChIKey |
WXWZXGHGTPKZJP-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