General Information of the Compound
| Compound ID |
CP0425610
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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-yl]methanol
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| Structure |
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| Formula |
C23H24ClN5O
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| Molecular Weight |
421.932
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| Canonical SMILES |
Cc1nc2ccc(CN3CCCC(CO)C3)cc2n2c(nnc12)-c1ccccc1Cl
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| InChI |
InChI=1S/C23H24ClN5O/c1-15-22-26-27-23(18-6-2-3-7-19(18)24)29(22)21-11-16(8-9-20(21)25-15)12-28-10-4-5-17(13-28)14-30/h2-3,6-9,11,17,30H,4-5,10,12-14H2,1H3
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| InChIKey |
XYHOTKZGFKCGHN-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