General Information of the Compound
| Compound ID |
CP0401770
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| Compound Name |
US10028961, Compound 270
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| Structure |
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| Formula |
C20H22F7N7
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| Molecular Weight |
493.431
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| Canonical SMILES |
FC(F)(F)c1nccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
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| InChI |
InChI=1S/C20H22F7N7/c21-18(22)6-1-11(2-7-18)29-16-32-14(13-5-10-28-15(31-13)20(25,26)27)33-17(34-16)30-12-3-8-19(23,24)9-4-12/h5,10-12H,1-4,6-9H2,(H2,29,30,32,33,34)
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| InChIKey |
VFDBHGHEXPAMBP-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