General Information of the Compound
| Compound ID |
CP0109651
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| Compound Name |
1-(2-(benzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C19H17BrN2O3
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| Molecular Weight |
401.26
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| Canonical SMILES |
Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C19H17BrN2O3/c1-13-9-17(19(23)24)21-22(13)11-15-10-16(20)7-8-18(15)25-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,24)
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| InChIKey |
NIKRNNCEAFBTLC-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