General Information of the Compound
| Compound ID |
CP0494045
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| Compound Name |
US10028961, Compound 326
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| Structure |
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| Formula |
C19H22F5N7
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| Molecular Weight |
443.424
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| Canonical SMILES |
CN1CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C19H22F5N7/c1-31-8-6-12(10-31)26-17-29-15(13-3-2-4-14(27-13)19(22,23)24)28-16(30-17)25-11-5-7-18(20,21)9-11/h2-4,11-12H,5-10H2,1H3,(H2,25,26,28,29,30)
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| InChIKey |
FKUYTXAMGGWNHC-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