General Information of the Compound
| Compound ID |
CP0855042
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| Compound Name |
1-[5-bromo-2-(3-methyl-benzyloxy)-benzyl]-5-methyl-1H-pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C20H19BrN2O3
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| Molecular Weight |
415.287
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| Canonical SMILES |
Cc1cccc(COc2ccc(Br)cc2Cn2nc(C(=O)O)cc2C)c1
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| InChI |
InChI=1S/C20H19BrN2O3/c1-13-4-3-5-15(8-13)12-26-19-7-6-17(21)10-16(19)11-23-14(2)9-18(22-23)20(24)25/h3-10H,11-12H2,1-2H3,(H,24,25)
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| InChIKey |
YEYGLBZGRJWSSO-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