General Information of the Compound
| Compound ID |
CP0567164
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| Compound Name |
2-[2-[(3-chlorophenyl)methoxy]ethylsulfanyl]-5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
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| Structure |
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| Formula |
C29H30ClFN2O3S
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| Molecular Weight |
541.088
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| Canonical SMILES |
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2cccc(Cl)c2)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C29H30ClFN2O3S/c1-29(2,21-8-13-25(34-3)26(17-21)35-4)27-18-32-28(33(27)24-11-9-23(31)10-12-24)37-15-14-36-19-20-6-5-7-22(30)16-20/h5-13,16-18H,14-15,19H2,1-4H3
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| InChIKey |
HBONDSGUCOEAMS-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