General Information of the Compound
| Compound ID |
CP0296669
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| Compound Name |
2-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]benzoic acid methyl ester
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| Structure |
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| Formula |
C15H14N2O3S
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| Molecular Weight |
302.355
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| Canonical SMILES |
COC(=O)c1ccccc1NC(=O)CSc1ccccn1
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| InChI |
InChI=1S/C15H14N2O3S/c1-20-15(19)11-6-2-3-7-12(11)17-13(18)10-21-14-8-4-5-9-16-14/h2-9H,10H2,1H3,(H,17,18)
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| InChIKey |
RQXRZTHBHUMLKF-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