General Information of the Compound
| Compound ID |
CP0932545
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| Compound Name |
1-(2-(benzyloxy)-5-bromobenzyl)-1H-1,2,3-triazole-4-carboxylic acid
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| Structure |
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| Formula |
C17H14BrN3O3
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| Molecular Weight |
388.221
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| Canonical SMILES |
O=C(O)c1cn(Cc2cc(Br)ccc2OCc2ccccc2)nn1
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| InChI |
InChI=1S/C17H14BrN3O3/c18-14-6-7-16(24-11-12-4-2-1-3-5-12)13(8-14)9-21-10-15(17(22)23)19-20-21/h1-8,10H,9,11H2,(H,22,23)
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| InChIKey |
UFWAQOHKXWINQV-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