General Information of the Compound
| Compound ID |
CP0401759
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| Compound Name |
US10946023, Compound 189
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| Structure |
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| Formula |
C24H21F5N8
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| Molecular Weight |
516.478
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| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
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| InChI |
InChI=1S/C24H21F5N8/c25-23(26)7-4-14(5-8-23)32-20-35-19(16-2-1-3-17(34-16)24(27,28)29)36-21(37-20)33-15-6-11-31-18(12-15)22(13-30)9-10-22/h1-3,6,11-12,14H,4-5,7-10H2,(H2,31,32,33,35,36,37)
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| InChIKey |
QZGNGXVVYKMASD-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