General Information of the Compound
| Compound ID |
CP0387382
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| Compound Name |
US10028961, Compound 129
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| Structure |
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| Formula |
C17H18ClF4N7
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| Molecular Weight |
431.825
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| Canonical SMILES |
FC1(F)CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cncc(Cl)n1
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| InChI |
InChI=1S/C17H18ClF4N7/c18-12-8-23-7-11(26-12)13-27-14(24-9-1-3-16(19,20)5-9)29-15(28-13)25-10-2-4-17(21,22)6-10/h7-10H,1-6H2,(H2,24,25,27,28,29)
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| InChIKey |
RZIGAQYBYPZUMX-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