General Information of the Compound
| Compound ID |
CP0397203
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| Compound Name |
ethyl 2-(dimethylaminodiazenyl)-4-methyl-5-phenylthiophene-3-carboxylate
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| Structure |
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| Formula |
C16H19N3O2S
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| Molecular Weight |
317.414
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| Canonical SMILES |
CCOC(=O)c1c(C)c(sc1N=NN(C)C)-c1ccccc1
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| InChI |
InChI=1S/C16H19N3O2S/c1-5-21-16(20)13-11(2)14(12-9-7-6-8-10-12)22-15(13)17-18-19(3)4/h6-10H,5H2,1-4H3
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| InChIKey |
ZVOOLNVRBRNKHS-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