General Information of the Compound
| Compound ID |
CP0419492
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| Compound Name |
2-[(3-bromo-4-hydroxyphenyl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-one
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| Structure |
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| Formula |
C16H14BrN3O3
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| Molecular Weight |
376.21
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| Canonical SMILES |
COc1ccc(cc1)-n1cnn(Cc2ccc(O)c(Br)c2)c1=O
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| InChI |
InChI=1S/C16H14BrN3O3/c1-23-13-5-3-12(4-6-13)19-10-18-20(16(19)22)9-11-2-7-15(21)14(17)8-11/h2-8,10,21H,9H2,1H3
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| InChIKey |
ZQIFPOGBUYHXMS-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