General Information of the Compound
| Compound ID |
CP0090663
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| Compound Name |
3-(4-Ethyl-phenyl)-9-(2,2,2-trifluoro-ethylamino)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C19H15F3N4OS
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| Molecular Weight |
404.417
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| Canonical SMILES |
CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(F)(F)F)c23)c1=O
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| InChI |
InChI=1S/C19H15F3N4OS/c1-2-11-3-5-12(6-4-11)26-10-25-15-14-13(24-9-19(20,21)22)7-8-23-17(14)28-16(15)18(26)27/h3-8,10H,2,9H2,1H3,(H,23,24)
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| InChIKey |
HVNDCFLLFFZJIK-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