General Information of the Compound
| Compound ID |
CP0502420
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| Compound Name |
3-(4-tert-butylphenyl)-4-cyano-5-(pyrrolidin-1-yl)thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C20H22N2O2S
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| Molecular Weight |
354.475
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1c(sc(N2CCCC2)c1C#N)C(O)=O
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| InChI |
InChI=1S/C20H22N2O2S/c1-20(2,3)14-8-6-13(7-9-14)16-15(12-21)18(22-10-4-5-11-22)25-17(16)19(23)24/h6-9H,4-5,10-11H2,1-3H3,(H,23,24)
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| InChIKey |
VOLVHVOAIIZMJZ-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