General Information of the Compound
| Compound ID |
CP0485808
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| Compound Name |
8-(4-methylphenyl)-1h-pyrrolo[2'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
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| Structure |
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| Formula |
C18H12N4OS
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| Molecular Weight |
332.388
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| Canonical SMILES |
Cc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
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| InChI |
InChI=1S/C18H12N4OS/c1-10-2-4-12(5-3-10)22-9-21-15-13-14-11(6-7-19-14)8-20-17(13)24-16(15)18(22)23/h2-9,19H,1H3
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| InChIKey |
FGQIFROFERTXDJ-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