General Information of the Compound
| Compound ID |
CP0425434
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| Compound Name |
ethyl 3-(4-tert-butylphenyl)-4-cyano-5-methylsulfanylthiophene-2-carboxylate
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| Structure |
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| Formula |
C19H21NO2S2
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| Molecular Weight |
359.516
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| Canonical SMILES |
CCOC(=O)c1sc(SC)c(C#N)c1-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C19H21NO2S2/c1-6-22-17(21)16-15(14(11-20)18(23-5)24-16)12-7-9-13(10-8-12)19(2,3)4/h7-10H,6H2,1-5H3
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| InChIKey |
ITBKXYIQENUVSN-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
Protein ID: PT01829, Glutamate receptor 2
Protein ID: PT03593, Glutamate receptor 4