General Information of the Compound
| Compound ID |
CP0482862
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| Compound Name |
4-[[4-methyl-1-(5-propan-2-yloxypyridin-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 |
CC(C)Oc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
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| InChI |
InChI=1S/C23H26N6O2/c1-15(2)31-19-11-18(12-24-13-19)23-27-26-22-16(3)25-20-5-4-17(10-21(20)29(22)23)14-28-6-8-30-9-7-28/h4-5,10-13,15H,6-9,14H2,1-3H3
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| InChIKey |
VNVWBYASPCIDHG-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