General Information of the Compound
| Compound ID |
CP0412020
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| Compound Name |
US10946023, Compound 226
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| Structure |
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| Formula |
C20H14F6N8
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| Molecular Weight |
480.376
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| Canonical SMILES |
FC(F)(F)CNc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C20H14F6N8/c21-19(22,23)10-29-16-32-15(12-2-1-3-13(31-12)20(24,25)26)33-17(34-16)30-11-4-7-28-14(8-11)18(9-27)5-6-18/h1-4,7-8H,5-6,10H2,(H2,28,29,30,32,33,34)
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| InChIKey |
BNHMYSZGOLVPEX-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
Cell-based Assay
Protein ID: PT03648, Isocitrate dehydrogenase [NADP], mitochondrial