General Information of the Compound
| Compound ID |
CP0565855
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| Compound Name |
1-(2-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
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| Structure |
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| Formula |
C23H25ClN6O
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| Molecular Weight |
436.947
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
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| InChI |
InChI=1S/C23H25ClN6O/c1-4-29(5-2)13-12-25-23(31)16-10-11-19-20(14-16)30-21(15(3)26-19)27-28-22(30)17-8-6-7-9-18(17)24/h6-11,14H,4-5,12-13H2,1-3H3,(H,25,31)
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| InChIKey |
SRITYIMQTYHWHI-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