General Information of the Compound
| Compound ID |
CP0476919
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| Compound Name |
2-(2-benzyl-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 |
C21H18N6
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| Molecular Weight |
354.417
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| Canonical SMILES |
Cc1cnc(C)c2nc(nn12)-c1ccc2nc(Cc3ccccc3)[nH]c2c1
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| InChI |
InChI=1S/C21H18N6/c1-13-12-22-14(2)21-25-20(26-27(13)21)16-8-9-17-18(11-16)24-19(23-17)10-15-6-4-3-5-7-15/h3-9,11-12H,10H2,1-2H3,(H,23,24)
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| InChIKey |
ONGOCTRDDWOFAS-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