General Information of the Compound
| Compound ID |
CP0311737
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| Compound Name |
9-Dimethylamino-2-ethyl-3-(4-ethyl-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C21H22N4OS
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| Molecular Weight |
378.501
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| Canonical SMILES |
CCc1ccc(cc1)-n1c(CC)nc2c(sc3nccc(N(C)C)c23)c1=O
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| InChI |
InChI=1S/C21H22N4OS/c1-5-13-7-9-14(10-8-13)25-16(6-2)23-18-17-15(24(3)4)11-12-22-20(17)27-19(18)21(25)26/h7-12H,5-6H2,1-4H3
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| InChIKey |
GTWDLILEKFSCOA-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