General Information of the Compound
| Compound ID |
CP0509843
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| Compound Name |
5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)-2-[2-(4-pyrrol-1-ylphenoxy)ethylsulfanyl]imidazole
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| Structure |
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| Formula |
C32H32FN3O3S
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| Molecular Weight |
557.691
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| Canonical SMILES |
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2cccc2)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C32H32FN3O3S/c1-32(2,23-7-16-28(37-3)29(21-23)38-4)30-22-34-31(36(30)26-10-8-24(33)9-11-26)40-20-19-39-27-14-12-25(13-15-27)35-17-5-6-18-35/h5-18,21-22H,19-20H2,1-4H3
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| InChIKey |
FZMAFSGSOYLLEQ-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