General Information of the Compound
| Compound ID |
CP0485981
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| Compound Name |
N-[2-[[4-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]methylamino]imidazol-1-yl]acetamide
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| Structure |
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| Formula |
C21H17ClF2N6O2
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| Molecular Weight |
458.856
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| Canonical SMILES |
CC(=O)Nn1ccnc1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1
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| InChI |
InChI=1S/C21H17ClF2N6O2/c1-11(31)28-30-6-5-25-21(30)26-10-14-4-3-13(7-17(14)23)16-8-15(22)9-18(24)19(16)20-27-12(2)32-29-20/h3-9H,10H2,1-2H3,(H,25,26)(H,28,31)
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| InChIKey |
QEENDZGDEQEHBS-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