General Information of the Compound
| Compound ID |
CP0433643
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| Compound Name |
1-(5-(3,5-Dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
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| Structure |
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| Formula |
C21H24N2O3
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| Molecular Weight |
352.434
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| Canonical SMILES |
COc1cc(OC)cc(c1)C1CC(=NN1C(C)=O)c1ccc(C)c(C)c1
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| InChI |
InChI=1S/C21H24N2O3/c1-13-6-7-16(8-14(13)2)20-12-21(23(22-20)15(3)24)17-9-18(25-4)11-19(10-17)26-5/h6-11,21H,12H2,1-5H3
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| InChIKey |
IFBBHVRVNLEUFC-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