General Information of the Compound
| Compound ID |
CP0393543
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| Compound Name |
US10028961, Compound 125
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| Structure |
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| Formula |
C21H17F7N6
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| Molecular Weight |
486.395
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| Canonical SMILES |
Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)CC3)nc(n2)-c2cccc(n2)C(F)(F)F)c1
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| InChI |
InChI=1S/C21H17F7N6/c22-11-8-12(23)10-14(9-11)30-19-33-17(15-2-1-3-16(31-15)21(26,27)28)32-18(34-19)29-13-4-6-20(24,25)7-5-13/h1-3,8-10,13H,4-7H2,(H2,29,30,32,33,34)
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| InChIKey |
PEKCODXRCQZWOA-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