General Information of the Compound
| Compound ID |
CP0389045
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| Compound Name |
2-[2-(5-chlorothiophen-2-yl)-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 |
C18H13ClN6S
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| Molecular Weight |
380.864
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| Canonical SMILES |
Cc1cnc(C)c2nc(nn12)-c1ccc2nc([nH]c2c1)-c1ccc(Cl)s1
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| InChI |
InChI=1S/C18H13ClN6S/c1-9-8-20-10(2)18-23-16(24-25(9)18)11-3-4-12-13(7-11)22-17(21-12)14-5-6-15(19)26-14/h3-8H,1-2H3,(H,21,22)
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| InChIKey |
VUUCDKVXQXXASH-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