General Information of the Compound
| Compound ID |
CP0918721
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| Compound Name |
1-(2-(4-fluorobenzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C19H16BrFN2O3
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| Molecular Weight |
419.25
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| Canonical SMILES |
Cc1cc(C(=O)O)nn1Cc1cc(Br)ccc1OCc1ccc(F)cc1
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| InChI |
InChI=1S/C19H16BrFN2O3/c1-12-8-17(19(24)25)22-23(12)10-14-9-15(20)4-7-18(14)26-11-13-2-5-16(21)6-3-13/h2-9H,10-11H2,1H3,(H,24,25)
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| InChIKey |
GZOHLDYEXZLRSH-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