General Information of the Compound
| Compound ID |
CP0446303
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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]benzonitrile
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| Structure |
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| Formula |
C21H15N7
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| Molecular Weight |
365.4
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| Canonical SMILES |
Cc1cnc(C)c2nc(nn12)-c1ccc2nc([nH]c2c1)-c1ccccc1C#N
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| InChI |
InChI=1S/C21H15N7/c1-12-11-23-13(2)21-26-19(27-28(12)21)14-7-8-17-18(9-14)25-20(24-17)16-6-4-3-5-15(16)10-22/h3-9,11H,1-2H3,(H,24,25)
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| InChIKey |
AUTFNKPOAASAPR-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