General Information of the Compound
| Compound ID |
CP0498744
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| Compound Name |
3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylthiophene-2-carboxamide
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| Structure |
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| Formula |
C15H15BrN2O2S2
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| Molecular Weight |
399.335
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| Canonical SMILES |
CN(C)C(=O)c1sccc1NC(=O)CSc1ccc(Br)cc1
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| InChI |
InChI=1S/C15H15BrN2O2S2/c1-18(2)15(20)14-12(7-8-21-14)17-13(19)9-22-11-5-3-10(16)4-6-11/h3-8H,9H2,1-2H3,(H,17,19)
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| InChIKey |
SVTSQQHRXYDBSP-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