General Information of the Compound
| Compound ID |
CP0408074
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| Compound Name |
2-[2-(3-bromophenyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
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| Structure |
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| Formula |
C20H15BrN6
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| Molecular Weight |
419.286
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| Canonical SMILES |
Cc1cnc(C)c2nc(nn12)-c1ccc2nc([nH]c2c1)-c1cccc(Br)c1
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| InChI |
InChI=1S/C20H15BrN6/c1-11-10-22-12(2)20-25-19(26-27(11)20)14-6-7-16-17(9-14)24-18(23-16)13-4-3-5-15(21)8-13/h3-10H,1-2H3,(H,23,24)
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| InChIKey |
YJWRJZCSMZQKDF-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