General Information of the Compound
| Compound ID |
CP0541095
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| Compound Name |
5-(3-bromo-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one
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| Structure |
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| Formula |
C15H19BrN2O2
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| Molecular Weight |
339.233
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| Canonical SMILES |
COc1ccc(cc1Br)C1=NN(C(C)C)C(=O)C1(C)C
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| InChI |
InChI=1S/C15H19BrN2O2/c1-9(2)18-14(19)15(3,4)13(17-18)10-6-7-12(20-5)11(16)8-10/h6-9H,1-5H3
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| InChIKey |
VYBVQFBCCQONCN-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