General Information of the Compound
| Compound ID |
CP0499121
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| Compound Name |
ethyl 2-(cyanodiazenyl)-4-methyl-5-phenylthiophene-3-carboxylate
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| Structure |
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| Formula |
C15H13N3O2S
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| Molecular Weight |
299.355
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| Canonical SMILES |
CCOC(=O)c1c(C)c(sc1N=NC#N)-c1ccccc1
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| InChI |
InChI=1S/C15H13N3O2S/c1-3-20-15(19)12-10(2)13(11-7-5-4-6-8-11)21-14(12)18-17-9-16/h4-8H,3H2,1-2H3
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| InChIKey |
GPDXZSAUHCBZLB-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