General Information of the Compound
| Compound ID |
CP0393540
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| Compound Name |
US10028961, Compound 273
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| Structure |
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| Formula |
C22H26F5N7O
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| Molecular Weight |
499.488
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| Canonical SMILES |
CC(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C22H26F5N7O/c1-13(35)34-11-7-15(8-12-34)29-20-32-18(16-3-2-4-17(30-16)22(25,26)27)31-19(33-20)28-14-5-9-21(23,24)10-6-14/h2-4,14-15H,5-12H2,1H3,(H2,28,29,31,32,33)
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| InChIKey |
PVZIUYNREPTYEJ-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