General Information of the Compound
| Compound ID |
CP0520042
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| Compound Name |
4-[2-[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylethoxymethyl]benzonitrile
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| Structure |
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| Formula |
C28H24Cl2FN3OS
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| Molecular Weight |
540.491
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| Canonical SMILES |
CC(C)(c1cnc(SCCOCc2ccc(cc2)C#N)n1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C28H24Cl2FN3OS/c1-28(2,21-7-12-24(29)25(30)15-21)26-17-33-27(34(26)23-10-8-22(31)9-11-23)36-14-13-35-18-20-5-3-19(16-32)4-6-20/h3-12,15,17H,13-14,18H2,1-2H3
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| InChIKey |
XARPKFMFPARBTC-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