General Information of the Compound
| Compound ID |
CP0508991
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| Compound Name |
5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-[2-[2-fluoro-4-(2-methylimidazol-1-yl)phenoxy]ethylsulfanyl]-1-(4-fluorophenyl)imidazole
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| Structure |
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| Formula |
C32H32F2N4O3S
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| Molecular Weight |
590.696
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| Canonical SMILES |
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2F)-n2ccnc2C)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C32H32F2N4O3S/c1-21-35-14-15-37(21)25-11-13-27(26(34)19-25)41-16-17-42-31-36-20-30(38(31)24-9-7-23(33)8-10-24)32(2,3)22-6-12-28(39-4)29(18-22)40-5/h6-15,18-20H,16-17H2,1-5H3
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| InChIKey |
XQLNSKQMAUONDU-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