General Information of the Compound
| Compound ID |
CP0915815
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| Compound Name |
N-[2-(2,6-Difluoro-benzylsulfanyl)-3-(4-fluoro-phenyl)-3H-imidazol-4-yl]-3,4-dimethoxy-benzamide
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| Structure |
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| Formula |
C25H20F3N3O3S
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| Molecular Weight |
499.514
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| Canonical SMILES |
COc1ccc(C(=O)Nc2cnc(SCc3c(F)cccc3F)n2-c2ccc(F)cc2)cc1OC
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| InChI |
InChI=1S/C25H20F3N3O3S/c1-33-21-11-6-15(12-22(21)34-2)24(32)30-23-13-29-25(31(23)17-9-7-16(26)8-10-17)35-14-18-19(27)4-3-5-20(18)28/h3-13H,14H2,1-2H3,(H,30,32)
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| InChIKey |
ZDMRPMLGRMWFNM-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