General Information of the Compound
| Compound ID |
CP0465917
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| Compound Name |
methyl 3-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate
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| Structure |
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| Formula |
C15H15NO3S2
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| Molecular Weight |
321.423
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| Canonical SMILES |
COC(=O)c1sccc1NC(=O)CCSc1ccccc1
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| InChI |
InChI=1S/C15H15NO3S2/c1-19-15(18)14-12(7-9-21-14)16-13(17)8-10-20-11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3,(H,16,17)
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| InChIKey |
QLZBNEILVQAJCH-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