General Information of the Compound
| Compound ID |
CP0401751
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| Compound Name |
US10028961, Compound 157
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| Structure |
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| Formula |
C18H19ClF4N6
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| Molecular Weight |
430.837
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| Canonical SMILES |
FC1(F)CCCC1Nc1nc(NC2CCCC2(F)F)nc(n1)-c1cccc(Cl)n1
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| InChI |
InChI=1S/C18H19ClF4N6/c19-13-7-1-4-10(24-13)14-27-15(25-11-5-2-8-17(11,20)21)29-16(28-14)26-12-6-3-9-18(12,22)23/h1,4,7,11-12H,2-3,5-6,8-9H2,(H2,25,26,27,28,29)
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| InChIKey |
PDSKCDIBFYQGCE-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