General Information of the Compound
| Compound ID |
CP0473729
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| Compound Name |
US10028961, Compound 204
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| Structure |
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| Formula |
C21H17F5N8
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| Molecular Weight |
476.413
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| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C#N)n1
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| InChI |
InChI=1S/C21H17F5N8/c22-20(23)7-4-12(5-8-20)29-18-32-17(15-2-1-3-16(31-15)21(24,25)26)33-19(34-18)30-13-6-9-28-14(10-13)11-27/h1-3,6,9-10,12H,4-5,7-8H2,(H2,28,29,30,32,33,34)
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| InChIKey |
DWYLFGVHVCAESV-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