General Information of the Compound
| Compound ID |
CP0533331
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| Compound Name |
5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)-2-[2-[[4-(oxolan-3-yl)phenyl]methoxy]ethylsulfanyl]imidazole
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| Structure |
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| Formula |
C33H37FN2O4S
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| Molecular Weight |
576.734
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| Canonical SMILES |
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2ccc(cc2)C2CCOC2)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C33H37FN2O4S/c1-33(2,26-9-14-29(37-3)30(19-26)38-4)31-20-35-32(36(31)28-12-10-27(34)11-13-28)41-18-17-40-21-23-5-7-24(8-6-23)25-15-16-39-22-25/h5-14,19-20,25H,15-18,21-22H2,1-4H3
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| InChIKey |
RKUCLYHCRLKRLT-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