General Information of the Compound
| Compound ID |
CP0376119
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| Compound Name |
3-biphenyl-4-yl-4-cyano-5-isopropylsulfanyl-1-methyl-1H-pyrrole-2-carboxylic acid
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| Structure |
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| Formula |
C22H20N2O2S
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| Molecular Weight |
376.481
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| Canonical SMILES |
CC(C)Sc1c(C#N)c(c(C(O)=O)n1C)-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C22H20N2O2S/c1-14(2)27-21-18(13-23)19(20(22(25)26)24(21)3)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14H,1-3H3,(H,25,26)
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| InChIKey |
IKJDCTSVMTYEMX-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