General Information of the Compound
| Compound ID |
CP0913558
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| Compound Name |
2-(bis(4-fluorophenyl)(hydroxy)methyl)-1-ethyl-N-(2-hydroxypentyl)-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C28H29F2N3O3
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| Molecular Weight |
493.554
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| Canonical SMILES |
CCCC(O)CNC(=O)c1ccc2nc(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)n(CC)c2c1
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| InChI |
InChI=1S/C28H29F2N3O3/c1-3-5-23(34)17-31-26(35)18-6-15-24-25(16-18)33(4-2)27(32-24)28(36,19-7-11-21(29)12-8-19)20-9-13-22(30)14-10-20/h6-16,23,34,36H,3-5,17H2,1-2H3,(H,31,35)
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| InChIKey |
MIMHUWNBWDKIBT-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