General Information of the Compound
| Compound ID |
CP0849112
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| Compound Name |
1-(2-(benzyloxy)-5-bromobenzyl)-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C19H14BrF3N2O3
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| Molecular Weight |
455.23
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| Canonical SMILES |
O=C(O)c1nn(Cc2cc(Br)ccc2OCc2ccccc2)cc1C(F)(F)F
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| InChI |
InChI=1S/C19H14BrF3N2O3/c20-14-6-7-16(28-11-12-4-2-1-3-5-12)13(8-14)9-25-10-15(19(21,22)23)17(24-25)18(26)27/h1-8,10H,9,11H2,(H,26,27)
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| InChIKey |
DKTQPKSCWKNVPJ-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