General Information of the Compound
| Compound ID |
CP0157885
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| Compound Name |
3-(4-tert-Butyl-phenyl)-9-dimethylamino-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 |
CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(C)(C)C)c3=O)c12
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| InChI |
InChI=1S/C21H22N4OS/c1-21(2,3)13-6-8-14(9-7-13)25-12-23-17-16-15(24(4)5)10-11-22-19(16)27-18(17)20(25)26/h6-12H,1-5H3
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| InChIKey |
JAMWASXNGUMPKR-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