General Information of the Compound
| Compound ID |
CP0529458
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| Compound Name |
US9303045, 81
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| Structure |
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| Formula |
C18H20F4N4O2
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| Molecular Weight |
400.376
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| Canonical SMILES |
CN1C2COCC1CC(C2)NC(=O)c1cn(C(F)C(F)(F)F)c2ncccc12
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| InChI |
InChI=1S/C18H20F4N4O2/c1-25-11-5-10(6-12(25)9-28-8-11)24-16(27)14-7-26(17(19)18(20,21)22)15-13(14)3-2-4-23-15/h2-4,7,10-12,17H,5-6,8-9H2,1H3,(H,24,27)
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| InChIKey |
UNGRTRDQFJALMZ-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