General Information of the Compound
| Compound ID |
CP0540329
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| Compound Name |
2-(4-bromophenyl)sulfanyl-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethoxyphenyl]acetamide
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| Structure |
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| Formula |
C19H19BrN2O4S
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| Molecular Weight |
451.342
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| Canonical SMILES |
COc1cc(NC(=O)CSc2ccc(Br)cc2)c(cc1OC)C1=NCCO1
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| InChI |
InChI=1S/C19H19BrN2O4S/c1-24-16-9-14(19-21-7-8-26-19)15(10-17(16)25-2)22-18(23)11-27-13-5-3-12(20)4-6-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23)
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| InChIKey |
ATBQUQRHVXYKAV-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