General Information of the Compound
| Compound ID |
CP0466682
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| Compound Name |
US10028961, Compound 287
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| Structure |
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| Formula |
C19H23F5N6O
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| Molecular Weight |
446.424
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| Canonical SMILES |
CC(C)(O)CNc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C19H23F5N6O/c1-17(2,31)10-25-15-28-14(12-4-3-5-13(27-12)19(22,23)24)29-16(30-15)26-11-6-8-18(20,21)9-7-11/h3-5,11,31H,6-10H2,1-2H3,(H2,25,26,28,29,30)
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| InChIKey |
IWJRYKAPBRKGLL-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