General Information of the Compound
| Compound ID |
CP0430737
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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]benzimidazol-1-yl]-3-methoxy-1,2-oxazole-5-carboxamide
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| Structure |
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| Formula |
C28H20ClF2N7O4
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| Molecular Weight |
591.962
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| Canonical SMILES |
COc1cc(on1)C(=O)Nn1c(NCc2ccc(cc2F)-c2cc(Cl)cc(F)c2-c2noc(C)n2)nc2ccccc12
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| InChI |
InChI=1S/C28H20ClF2N7O4/c1-14-33-26(37-41-14)25-18(10-17(29)11-20(25)31)15-7-8-16(19(30)9-15)13-32-28-34-21-5-3-4-6-22(21)38(28)35-27(39)23-12-24(40-2)36-42-23/h3-12H,13H2,1-2H3,(H,32,34)(H,35,39)
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| InChIKey |
XTKJELCTEADEMS-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