General Information of the Compound
| Compound ID |
CP0408481
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| Compound Name |
methyl 2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
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| Structure |
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| Formula |
C14H13NO3S2
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| Molecular Weight |
307.396
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| Canonical SMILES |
COC(=O)c1ccsc1NC(=O)CSc1ccccc1
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| InChI |
InChI=1S/C14H13NO3S2/c1-18-14(17)11-7-8-19-13(11)15-12(16)9-20-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,16)
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| InChIKey |
CBWXRQLBGNFJHM-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