General Information of the Compound
| Compound ID |
CP0513351
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| Compound Name |
N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3,4-dimethoxybenzamide
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| Structure |
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| Formula |
C16H14BrN5O3
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| Molecular Weight |
404.224
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)Nc1cc(Br)ccc1-c1nnn[nH]1
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| InChI |
InChI=1S/C16H14BrN5O3/c1-24-13-6-3-9(7-14(13)25-2)16(23)18-12-8-10(17)4-5-11(12)15-19-21-22-20-15/h3-8H,1-2H3,(H,18,23)(H,19,20,21,22)
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| InChIKey |
QTUJYPVWVKRRMB-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