General Information of the Compound
| Compound ID |
CP0482863
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| Compound Name |
4-[[4-methyl-1-(5-propoxypyridin-3-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
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| Structure |
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| Formula |
C23H26N6O2
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| Molecular Weight |
418.501
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| Canonical SMILES |
CCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
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| InChI |
InChI=1S/C23H26N6O2/c1-3-8-31-19-12-18(13-24-14-19)23-27-26-22-16(2)25-20-5-4-17(11-21(20)29(22)23)15-28-6-9-30-10-7-28/h4-5,11-14H,3,6-10,15H2,1-2H3
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| InChIKey |
RXQBGBZOHKWYBQ-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: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase