General Information of the Compound
| Compound ID |
CP0941939
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| Compound Name |
1-(2-(benzyloxy)-5-bromobenzyl)-5-acetamido-1H-pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C20H18BrN3O4
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| Molecular Weight |
444.285
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| Canonical SMILES |
CC(=O)Nc1cc(C(=O)O)nn1Cc1cc(Br)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C20H18BrN3O4/c1-13(25)22-19-10-17(20(26)27)23-24(19)11-15-9-16(21)7-8-18(15)28-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,25)(H,26,27)
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| InChIKey |
YISLSQWNANQTPR-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