General Information of the Compound
| Compound ID |
CP0461239
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| Compound Name |
3-(3-bromobenzyl)-1H-pyrazole-5-carboxylic acid
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| Structure |
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| Formula |
C11H9BrN2O2
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| Molecular Weight |
281.109
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| Canonical SMILES |
OC(=O)c1cc(Cc2cccc(Br)c2)[nH]n1
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| InChI |
InChI=1S/C11H9BrN2O2/c12-8-3-1-2-7(4-8)5-9-6-10(11(15)16)14-13-9/h1-4,6H,5H2,(H,13,14)(H,15,16)
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| InChIKey |
VYGUDGUPIFVQNE-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