General Information of the Compound
| Compound ID |
CP0457665
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| Compound Name |
US10028961, Compound 363
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| Structure |
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| Formula |
C15H16F9N7
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| Molecular Weight |
465.324
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| Canonical SMILES |
CC[C@H](Nc1nc(N[C@@H](CC)C(F)(F)F)nc(n1)-n1ccc(n1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C15H16F9N7/c1-3-7(13(16,17)18)25-10-27-11(26-8(4-2)14(19,20)21)29-12(28-10)31-6-5-9(30-31)15(22,23)24/h5-8H,3-4H2,1-2H3,(H2,25,26,27,28,29)/t7-,8-/m0/s1
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| InChIKey |
CNPVZLAVEHNGOP-YUMQZZPRSA-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