General Information of the Compound
| Compound ID |
CP0508762
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| Compound Name |
4-[[1-(5-butoxy-2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
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| Structure |
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| Formula |
C25H28ClN5O2
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| Molecular Weight |
465.985
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| Canonical SMILES |
CCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
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| InChI |
InChI=1S/C25H28ClN5O2/c1-3-4-11-33-19-6-7-21(26)20(15-19)25-29-28-24-17(2)27-22-8-5-18(14-23(22)31(24)25)16-30-9-12-32-13-10-30/h5-8,14-15H,3-4,9-13,16H2,1-2H3
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| InChIKey |
GSHAVWDELPHUJH-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