General Information of the Compound
| Compound ID |
CP0945784
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| Compound Name |
1-(2-(2-methoxybenzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C20H19BrN2O4
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| Molecular Weight |
431.286
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| Canonical SMILES |
COc1ccccc1COc1ccc(Br)cc1Cn1nc(C(=O)O)cc1C
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| InChI |
InChI=1S/C20H19BrN2O4/c1-13-9-17(20(24)25)22-23(13)11-15-10-16(21)7-8-19(15)27-12-14-5-3-4-6-18(14)26-2/h3-10H,11-12H2,1-2H3,(H,24,25)
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| InChIKey |
DZOLIOOSQOWBAR-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