General Information of the Compound
| Compound ID |
CP0522846
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| Compound Name |
4-bromo-2-[1-(3-bromophenyl)-1H-pyrazole-4-carbonyl]phenoxyacetic acid
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| Structure |
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| Formula |
C18H12Br2N2O4
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| Molecular Weight |
480.112
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| Canonical SMILES |
OC(=O)COc1ccc(Br)cc1C(=O)c1cnn(c1)-c1cccc(Br)c1
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| InChI |
InChI=1S/C18H12Br2N2O4/c19-12-2-1-3-14(6-12)22-9-11(8-21-22)18(25)15-7-13(20)4-5-16(15)26-10-17(23)24/h1-9H,10H2,(H,23,24)
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| InChIKey |
IJDZLNQGKXRXSO-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