General Information of the Compound
| Compound ID |
CP0473726
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| Compound Name |
US10028961, Compound 367
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| Structure |
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| Formula |
C20H16F7N7
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| Molecular Weight |
487.383
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| Canonical SMILES |
Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)CC3)nc(n2)-c2cncc(n2)C(F)(F)F)c1
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| InChI |
InChI=1S/C20H16F7N7/c21-10-5-11(22)7-13(6-10)30-18-33-16(14-8-28-9-15(31-14)20(25,26)27)32-17(34-18)29-12-1-3-19(23,24)4-2-12/h5-9,12H,1-4H2,(H2,29,30,32,33,34)
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| InChIKey |
CUSSJQLSJJSNTA-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