General Information of the Compound
| Compound ID |
CP0453340
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| Compound Name |
1-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]piperidin-3-ol
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| Structure |
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| Formula |
C22H22ClN5O
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| Molecular Weight |
407.905
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| Canonical SMILES |
Cc1nc2ccc(CN3CCCC(O)C3)cc2n2c(nnc12)-c1ccccc1Cl
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| InChI |
InChI=1S/C22H22ClN5O/c1-14-21-25-26-22(17-6-2-3-7-18(17)23)28(21)20-11-15(8-9-19(20)24-14)12-27-10-4-5-16(29)13-27/h2-3,6-9,11,16,29H,4-5,10,12-13H2,1H3
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| InChIKey |
YCWMKHFHOBOJHS-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