General Information of the Compound
| Compound ID |
CP0458085
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| Compound Name |
US10028961, Compound 258
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| Structure |
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| Formula |
C21H24F4N6
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| Molecular Weight |
436.457
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| Canonical SMILES |
FC1(F)CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C1CC1
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| InChI |
InChI=1S/C21H24F4N6/c22-20(23)8-6-13(10-20)26-18-29-17(16-3-1-2-15(28-16)12-4-5-12)30-19(31-18)27-14-7-9-21(24,25)11-14/h1-3,12-14H,4-11H2,(H2,26,27,29,30,31)
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| InChIKey |
KKFMWMMEDKZDHR-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