General Information of the Compound
| Compound ID |
CP0405668
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| Compound Name |
US10028961, Compound 200
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| Structure |
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| Formula |
C18H15ClF3N7
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| Molecular Weight |
421.814
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| Canonical SMILES |
FC(F)(F)c1cc(Nc2nc(NCC3CC3)nc(n2)-c2cccc(Cl)n2)ccn1
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| InChI |
InChI=1S/C18H15ClF3N7/c19-14-3-1-2-12(26-14)15-27-16(24-9-10-4-5-10)29-17(28-15)25-11-6-7-23-13(8-11)18(20,21)22/h1-3,6-8,10H,4-5,9H2,(H2,23,24,25,27,28,29)
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| InChIKey |
ZMPPKTRRHWZFFR-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