General Information of the Compound
| Compound ID |
CP0374006
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| Compound Name |
5-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-3,4'-dicarbonitrile
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| Structure |
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| Formula |
C17H11N5
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| Molecular Weight |
285.31
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| Canonical SMILES |
N#Cc1ccc(cc1)-c1cc(Cn2cncn2)cc(c1)C#N
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| InChI |
InChI=1S/C17H11N5/c18-8-13-1-3-16(4-2-13)17-6-14(9-19)5-15(7-17)10-22-12-20-11-21-22/h1-7,11-12H,10H2
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| InChIKey |
FQURLYAZXGXJHD-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