General Information of the Compound
| Compound ID |
CP0499344
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| Compound Name |
5-((1H-1,2,4-triazol-1-yl)methyl)-3'-chlorobiphenyl-2-carbonitrile
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| Structure |
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| Formula |
C16H11ClN4
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| Molecular Weight |
294.745
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| Canonical SMILES |
Clc1cccc(c1)-c1cc(Cn2cncn2)ccc1C#N
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| InChI |
InChI=1S/C16H11ClN4/c17-15-3-1-2-13(7-15)16-6-12(4-5-14(16)8-18)9-21-11-19-10-20-21/h1-7,10-11H,9H2
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| InChIKey |
LGKXIZFGRLBEHX-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