General Information of the Compound
| Compound ID |
CP0374008
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| Compound Name |
6-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-3-carbonitrile
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| Structure |
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| Formula |
C16H12N4
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| Molecular Weight |
260.3
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| Canonical SMILES |
N#Cc1ccc(Cn2cncn2)c(c1)-c1ccccc1
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| InChI |
InChI=1S/C16H12N4/c17-9-13-6-7-15(10-20-12-18-11-19-20)16(8-13)14-4-2-1-3-5-14/h1-8,11-12H,10H2
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| InChIKey |
DIQKTGNZSUARFP-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