General Information of the Compound
| Compound ID |
CP0471770
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| Compound Name |
US10946023, Compound 373
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| Structure |
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| Formula |
C22H18F5N9
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| Molecular Weight |
503.439
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| Canonical SMILES |
FC(F)(F)c1cncc(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
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| InChI |
InChI=1S/C22H18F5N9/c23-21(24)3-1-13(8-21)32-19-35-17(14-9-29-10-16(33-14)22(25,26)27)34-18(36-19)31-12-2-6-30-15(7-12)20(11-28)4-5-20/h2,6-7,9-10,13H,1,3-5,8H2,(H2,30,31,32,34,35,36)/t13-/m0/s1
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| InChIKey |
XGRJPWINIPKAGC-ZDUSSCGKSA-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