General Information of the Compound
| Compound ID |
CP0401767
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| Compound Name |
US10028961, Compound 249
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| Structure |
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| Formula |
C20H24F5N7
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| Molecular Weight |
457.451
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| Canonical SMILES |
Nc1ccc(F)c(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
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| InChI |
InChI=1S/C20H24F5N7/c21-13-1-2-14(26)29-15(13)16-30-17(27-11-3-7-19(22,23)8-4-11)32-18(31-16)28-12-5-9-20(24,25)10-6-12/h1-2,11-12H,3-10H2,(H2,26,29)(H2,27,28,30,31,32)
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| InChIKey |
AHCWVZUQCYWTLX-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