General Information of the Compound
| Compound ID |
CP0547154
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| Compound Name |
N-phenyl-4-[phenyl(1,2,4-triazol-1-yl)methyl]aniline
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| Structure |
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| Formula |
C21H18N4
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| Molecular Weight |
326.403
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| Canonical SMILES |
N(c1ccccc1)c1ccc(cc1)C(c1ccccc1)n1cncn1
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| InChI |
InChI=1S/C21H18N4/c1-3-7-17(8-4-1)21(25-16-22-15-23-25)18-11-13-20(14-12-18)24-19-9-5-2-6-10-19/h1-16,21,24H
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| InChIKey |
DKSITUPJKCBVEJ-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