General Information of the Compound
| Compound ID |
CP0510886
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| Compound Name |
5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)-2-[2-[4-(2-methylimidazol-1-yl)phenoxy]ethylsulfanyl]imidazole
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| Structure |
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| Formula |
C32H33FN4O3S
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| Molecular Weight |
572.706
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| Canonical SMILES |
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2ccnc2C)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C32H33FN4O3S/c1-22-34-16-17-36(22)25-11-13-27(14-12-25)40-18-19-41-31-35-21-30(37(31)26-9-7-24(33)8-10-26)32(2,3)23-6-15-28(38-4)29(20-23)39-5/h6-17,20-21H,18-19H2,1-5H3
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| InChIKey |
GQNFXODOTWEOTN-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