General Information of the Compound
| Compound ID |
CP0423268
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| Compound Name |
4-[(4-hydroxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile
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| Structure |
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| Formula |
C16H12N4O
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| Molecular Weight |
276.299
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| Canonical SMILES |
Oc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
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| InChI |
InChI=1S/C16H12N4O/c17-9-12-1-3-13(4-2-12)16(20-11-18-10-19-20)14-5-7-15(21)8-6-14/h1-8,10-11,16,21H
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| InChIKey |
NKXSBAFDEKETDR-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