General Information of the Compound
| Compound ID |
CP0387381
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| Compound Name |
US10028961, Compound 120
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| Structure |
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| Formula |
C17H12ClF4N7
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| Molecular Weight |
425.777
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| Canonical SMILES |
Fc1cc(F)cc(Nc2nc(NC3CC(F)(F)C3)nc(n2)-c2cncc(Cl)n2)c1
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| InChI |
InChI=1S/C17H12ClF4N7/c18-13-7-23-6-12(26-13)14-27-15(24-10-2-8(19)1-9(20)3-10)29-16(28-14)25-11-4-17(21,22)5-11/h1-3,6-7,11H,4-5H2,(H2,24,25,27,28,29)
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| InChIKey |
DJUDMNYUQIPAHU-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