General Information of the Compound
| Compound ID |
CP0376126
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| Compound Name |
3-(4-tert-butylphenyl)-4-cyanothiophene-2-carboxylic acid
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| Structure |
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| Formula |
C16H15NO2S
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| Molecular Weight |
285.368
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1c(csc1C(O)=O)C#N
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| InChI |
InChI=1S/C16H15NO2S/c1-16(2,3)12-6-4-10(5-7-12)13-11(8-17)9-20-14(13)15(18)19/h4-7,9H,1-3H3,(H,18,19)
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| InChIKey |
LXGOZTHYUCARGI-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