General Information of the Compound
| Compound ID |
CP0393385
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| Compound Name |
US10028961, Compound 266
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| Structure |
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| Formula |
C21H26F5N7O2S
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| Molecular Weight |
535.543
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C21H26F5N7O2S/c1-36(34,35)33-11-7-14(8-12-33)28-19-31-17(15-3-2-4-16(29-15)21(24,25)26)30-18(32-19)27-13-5-9-20(22,23)10-6-13/h2-4,13-14H,5-12H2,1H3,(H2,27,28,30,31,32)
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| InChIKey |
XMCNRFYMKPJZQG-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