General Information of the Compound
| Compound ID |
CP0411596
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| Compound Name |
methyl 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]thiophene-2-carboxylate
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| Structure |
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| Formula |
C14H12BrNO3S2
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| Molecular Weight |
386.292
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| Canonical SMILES |
COC(=O)c1sccc1NC(=O)CSc1ccc(Br)cc1
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| InChI |
InChI=1S/C14H12BrNO3S2/c1-19-14(18)13-11(6-7-20-13)16-12(17)8-21-10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,17)
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| InChIKey |
DVDPJTQYPDQEJF-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