General Information of the Compound
| Compound ID |
CP0090667
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| Compound Name |
3-(4-ethylphenyl)-9-[(2-methoxyethyl)(methyl)amino]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C21H22N4O2S
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| Molecular Weight |
394.5
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| Canonical SMILES |
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CCOC)c23)c1=O
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| InChI |
InChI=1S/C21H22N4O2S/c1-4-14-5-7-15(8-6-14)25-13-23-18-17-16(24(2)11-12-27-3)9-10-22-20(17)28-19(18)21(25)26/h5-10,13H,4,11-12H2,1-3H3
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| InChIKey |
ITQCYVNOJRCWRN-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