General Information of the Compound
| Compound ID |
CP0446203
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| Compound Name |
US10028961, Compound 228
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| Structure |
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| Formula |
C22H23F7N6
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| Molecular Weight |
504.454
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| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NC2CC3(C2)CC(F)(F)C3)nc(NC2CCC(F)(F)CC2)n1
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| InChI |
InChI=1S/C22H23F7N6/c23-20(24)6-4-12(5-7-20)30-17-33-16(14-2-1-3-15(32-14)22(27,28)29)34-18(35-17)31-13-8-19(9-13)10-21(25,26)11-19/h1-3,12-13H,4-11H2,(H2,30,31,33,34,35)
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| InChIKey |
MBSONQUQQPPYRL-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