General Information of the Compound
| Compound ID |
CP0517901
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| Compound Name |
US10028961, Compound 412
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| Structure |
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| Formula |
C18H19F6N7
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| Molecular Weight |
447.387
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| Canonical SMILES |
FC(F)c1ccnc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
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| InChI |
InChI=1S/C18H19F6N7/c19-12(20)11-3-6-25-13(28-11)14-29-15(26-9-1-4-17(21,22)7-9)31-16(30-14)27-10-2-5-18(23,24)8-10/h3,6,9-10,12H,1-2,4-5,7-8H2,(H2,26,27,29,30,31)
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| InChIKey |
QHLSBPRKCLATLW-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
Cell-based Assay