General Information of the Compound
| Compound ID |
CP0466009
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| Compound Name |
3-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-2-methylbenzonitrile
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| Structure |
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| Formula |
C24H20N4
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| Molecular Weight |
364.452
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| Canonical SMILES |
CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(C#N)c1C
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| InChI |
InChI=1S/C24H20N4/c1-3-23-26-27-24(28(23)22-11-7-10-21(16-25)17(22)2)20-14-12-19(13-15-20)18-8-5-4-6-9-18/h4-15H,3H2,1-2H3
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| InChIKey |
WZUXSBMNGNCRPQ-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