General Information of the Compound
| Compound ID |
CP0865140
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| Compound Name |
6-{5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl}-2-(3-fluoropyridin-2-yl)-1H-1,3-benzodiazole
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| Structure |
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| Formula |
C19H14FN7
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| Molecular Weight |
359.368
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| Canonical SMILES |
Cc1ncc(C)n2nc(-c3ccc4nc(-c5ncccc5F)[nH]c4c3)nc12
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| InChI |
InChI=1S/C19H14FN7/c1-10-9-22-11(2)19-25-17(26-27(10)19)12-5-6-14-15(8-12)24-18(23-14)16-13(20)4-3-7-21-16/h3-9H,1-2H3,(H,23,24)
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| InChIKey |
POCNJEYXZOYKRH-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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02038, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
Protein ID: PT03075, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A