General Information of the Compound
| Compound ID |
CP0405580
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| Compound Name |
2-{3-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-2-methyl-2-phenyl-propylsulfanyl}-benzooxazole
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| Structure |
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| Formula |
C34H31N3O3S2
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| Molecular Weight |
593.774
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCC(C)(CSc2nc3ccccc3o2)c2ccccc2)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C34H31N3O3S2/c1-34(25-9-5-4-6-10-25,22-42-33-35-28-11-7-8-12-29(28)40-33)21-41-32-36-30(23-13-17-26(38-2)18-14-23)31(37-32)24-15-19-27(39-3)20-16-24/h4-20H,21-22H2,1-3H3,(H,36,37)
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| InChIKey |
ZDYUQCJCAUIFOE-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