General Information of the Compound
| Compound ID |
CP0397548
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| Compound Name |
(2-aminophenyl)-[1-(3-phenoxyphenyl)triazol-4-yl]methanone
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| Structure |
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| Formula |
C21H16N4O2
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| Molecular Weight |
356.385
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| Canonical SMILES |
Nc1ccccc1C(=O)c1cn(nn1)-c1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C21H16N4O2/c22-19-12-5-4-11-18(19)21(26)20-14-25(24-23-20)15-7-6-10-17(13-15)27-16-8-2-1-3-9-16/h1-14H,22H2
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| InChIKey |
XCAPCSTYYUONFZ-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