General Information of the Compound
| Compound ID |
CP0445961
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| Compound Name |
4-bromo-2-[1-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]phenoxyacetic acid
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| Structure |
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| Formula |
C19H15BrN2O5
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| Molecular Weight |
431.242
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| Canonical SMILES |
COc1ccc(cc1)-n1cc(cn1)C(=O)c1cc(Br)ccc1OCC(O)=O
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| InChI |
InChI=1S/C19H15BrN2O5/c1-26-15-5-3-14(4-6-15)22-10-12(9-21-22)19(25)16-8-13(20)2-7-17(16)27-11-18(23)24/h2-10H,11H2,1H3,(H,23,24)
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| InChIKey |
IPDACYXTBUWPEL-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