General Information of the Compound
| Compound ID |
CP0205004
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| Compound Name |
3-Adamantan-1-yl-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 |
C21H24N4OS
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| Molecular Weight |
380.517
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| Canonical SMILES |
CN(C)c1ccnc2sc3c(ncn(c3=O)C34CC5CC(CC(C5)C3)C4)c12
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| InChI |
InChI=1S/C21H24N4OS/c1-24(2)15-3-4-22-19-16(15)17-18(27-19)20(26)25(11-23-17)21-8-12-5-13(9-21)7-14(6-12)10-21/h3-4,11-14H,5-10H2,1-2H3
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| InChIKey |
AKQCXZGTHURUGU-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