General Information of the Compound
| Compound ID |
CP0471768
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| Compound Name |
US10028961, Compound 361
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| Structure |
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| Formula |
C22H20F7N7
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| Molecular Weight |
515.437
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| Canonical SMILES |
CC(F)(F)c1cc(Nc2nc(NC3CCC(F)(F)CC3)nc(n2)-c2cccc(n2)C(F)(F)F)ccn1
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| InChI |
InChI=1S/C22H20F7N7/c1-20(23,24)16-11-13(7-10-30-16)32-19-35-17(14-3-2-4-15(33-14)22(27,28)29)34-18(36-19)31-12-5-8-21(25,26)9-6-12/h2-4,7,10-12H,5-6,8-9H2,1H3,(H2,30,31,32,34,35,36)
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| InChIKey |
RSCDXFNMGRWMJK-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