General Information of the Compound
| Compound ID |
CP0473724
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| Compound Name |
US10028961, Compound 358
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| Structure |
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| Formula |
C20H16F7N7
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| Molecular Weight |
487.383
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| Canonical SMILES |
CC(F)(F)c1cc(Nc2nc(NC3CC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)ccn1
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| InChI |
InChI=1S/C20H16F7N7/c1-18(21,22)14-7-10(5-6-28-14)29-16-32-15(12-3-2-4-13(31-12)20(25,26)27)33-17(34-16)30-11-8-19(23,24)9-11/h2-7,11H,8-9H2,1H3,(H2,28,29,30,32,33,34)
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| InChIKey |
NBLZOFNGJDPRRM-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