General Information of the Compound
| Compound ID |
CP0412213
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| Compound Name |
2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,3-thiazole
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| Structure |
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| Formula |
C18H15N7S
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| Molecular Weight |
361.434
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| Canonical SMILES |
Cc1cnc(s1)-c1nc2ccc(cc2[nH]1)-c1nc2c(C)ncc(C)n2n1
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| InChI |
InChI=1S/C18H15N7S/c1-9-7-19-11(3)17-23-15(24-25(9)17)12-4-5-13-14(6-12)22-16(21-13)18-20-8-10(2)26-18/h4-8H,1-3H3,(H,21,22)
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| InChIKey |
XYUBPZIQKORLBE-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