General Information of the Compound
| Compound ID |
CP0387396
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| Compound Name |
US10028961, Compound 372
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| Structure |
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| Formula |
C23H20F4N8
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| Molecular Weight |
484.461
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| Canonical SMILES |
CC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
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| InChI |
InChI=1S/C23H20F4N8/c1-21(24,25)16-4-2-3-15(32-16)18-33-19(35-20(34-18)31-14-10-23(26,27)11-14)30-13-5-8-29-17(9-13)22(12-28)6-7-22/h2-5,8-9,14H,6-7,10-11H2,1H3,(H2,29,30,31,33,34,35)
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| InChIKey |
RTZBPKFZOQGNAS-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