General Information of the Compound
| Compound ID |
CP0457663
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| Compound Name |
US10028961, Compound 302
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| Structure |
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| Formula |
C18H22ClF4N7
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| Molecular Weight |
447.868
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| Canonical SMILES |
FC1(F)CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-n1cc(Cl)cn1
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| InChI |
InChI=1S/C18H22ClF4N7/c19-11-9-24-30(10-11)16-28-14(25-12-1-5-17(20,21)6-2-12)27-15(29-16)26-13-3-7-18(22,23)8-4-13/h9-10,12-13H,1-8H2,(H2,25,26,27,28,29)
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| InChIKey |
QSWMJNNVEMLNDB-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