General Information of the Compound
| Compound ID |
CP0553960
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| Compound Name |
N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline
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| Structure |
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| Formula |
C16H16N4
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| Molecular Weight |
264.332
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| Canonical SMILES |
CC(c1ccc(Nc2ccccc2)cc1)n1cncn1
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| InChI |
InChI=1S/C16H16N4/c1-13(20-12-17-11-18-20)14-7-9-16(10-8-14)19-15-5-3-2-4-6-15/h2-13,19H,1H3
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| InChIKey |
DMROGQANENHCJE-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