General Information of the Compound
| Compound ID |
CP0387405
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| Compound Name |
US10028961, Compound 211
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| Structure |
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| Formula |
C25H24F4N8
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| Molecular Weight |
512.515
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| Canonical SMILES |
CC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
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| InChI |
InChI=1S/C25H24F4N8/c1-23(26,27)18-4-2-3-17(34-18)20-35-21(32-15-5-8-25(28,29)9-6-15)37-22(36-20)33-16-7-12-31-19(13-16)24(14-30)10-11-24/h2-4,7,12-13,15H,5-6,8-11H2,1H3,(H2,31,32,33,35,36,37)
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| InChIKey |
QRMZPBWPZWIROS-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