General Information of the Compound
| Compound ID |
CP0387399
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| Compound Name |
US10028961, Compound 245
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| Structure |
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| Formula |
C19H16F4N8
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| Molecular Weight |
432.385
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| Canonical SMILES |
CC(C)(C)Nc1nc(Nc2cc(F)cc(c2)C#N)nc(n1)-c1nccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C19H16F4N8/c1-18(2,3)31-17-29-15(14-25-5-4-13(27-14)19(21,22)23)28-16(30-17)26-12-7-10(9-24)6-11(20)8-12/h4-8H,1-3H3,(H2,26,28,29,30,31)
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| InChIKey |
TWTMGQUEQUWIKR-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