General Information of the Compound
| Compound ID |
CP0062233
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| Compound Name |
3-(4-Ethyl-phenyl)-9-methylamino-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C18H16N4OS
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| Molecular Weight |
336.42
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| Canonical SMILES |
CCc1ccc(cc1)-n1cnc2c(sc3nccc(NC)c23)c1=O
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| InChI |
InChI=1S/C18H16N4OS/c1-3-11-4-6-12(7-5-11)22-10-21-15-14-13(19-2)8-9-20-17(14)24-16(15)18(22)23/h4-10H,3H2,1-2H3,(H,19,20)
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| InChIKey |
VQAOBNKKATVAHJ-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: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5