General Information of the Compound
| Compound ID |
CP0405671
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| Compound Name |
US10946023, Compound 382
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| Structure |
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| Formula |
C22H20F5N9
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| Molecular Weight |
505.455
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| Canonical SMILES |
FC(F)(F)c1ccn(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
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| InChI |
InChI=1S/C22H20F5N9/c23-21(24)5-1-13(2-6-21)30-17-32-18(31-14-3-9-29-16(11-14)20(12-28)7-8-20)34-19(33-17)36-10-4-15(35-36)22(25,26)27/h3-4,9-11,13H,1-2,5-8H2,(H2,29,30,31,32,33,34)
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| InChIKey |
POHHIURFWMYFGA-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