General Information of the Compound
| Compound ID |
CP0438766
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| Compound Name |
1-(3-(3,4-Dichlorophenyl)-5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
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| Structure |
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| Formula |
C19H18Cl2N2O3
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| Molecular Weight |
393.27
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| Canonical SMILES |
COc1cc(OC)cc(c1)C1CC(=NN1C(C)=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C19H18Cl2N2O3/c1-11(24)23-19(13-6-14(25-2)9-15(7-13)26-3)10-18(22-23)12-4-5-16(20)17(21)8-12/h4-9,19H,10H2,1-3H3
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| InChIKey |
AUUDLJVRYOAHGV-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