General Information of the Compound
| Compound ID |
CP0915977
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| Compound Name |
1-(2-(benzyloxy)-5-bromobenzyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C22H17BrN2O3S
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| Molecular Weight |
469.36
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| Canonical SMILES |
O=C(O)c1cc(-c2cccs2)n(Cc2cc(Br)ccc2OCc2ccccc2)n1
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| InChI |
InChI=1S/C22H17BrN2O3S/c23-17-8-9-20(28-14-15-5-2-1-3-6-15)16(11-17)13-25-19(21-7-4-10-29-21)12-18(24-25)22(26)27/h1-12H,13-14H2,(H,26,27)
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| InChIKey |
RLKUZPFHZIJURC-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