General Information of the Compound
| Compound ID |
CP0484687
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| Compound Name |
US10028961, Compound 385
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| Structure |
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| Formula |
C24H20F5N9
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| Molecular Weight |
529.477
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| Canonical SMILES |
FC(F)(F)c1cncc(n1)-c1nc(NC2CC3(C2)CC(F)(F)C3)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
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| InChI |
InChI=1S/C24H20F5N9/c25-23(26)10-21(11-23)6-14(7-21)34-20-37-18(15-8-31-9-17(35-15)24(27,28)29)36-19(38-20)33-13-1-4-32-16(5-13)22(12-30)2-3-22/h1,4-5,8-9,14H,2-3,6-7,10-11H2,(H2,32,33,34,36,37,38)
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| InChIKey |
RFILWRLBMXUUTD-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