General Information of the Compound
| Compound ID |
CP0473719
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| Compound Name |
US10028961, Compound 202
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| Structure |
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| Formula |
C25H20F5N7
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| Molecular Weight |
513.474
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| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)-c2ccccc2)n1
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| InChI |
InChI=1S/C25H20F5N7/c26-24(27)11-9-17(14-24)33-23-36-21(18-7-4-8-20(34-18)25(28,29)30)35-22(37-23)32-16-10-12-31-19(13-16)15-5-2-1-3-6-15/h1-8,10,12-13,17H,9,11,14H2,(H2,31,32,33,35,36,37)
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| InChIKey |
WBCWQBKLLSFRCG-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