General Information of the Compound
| Compound ID |
CP0518918
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| Compound Name |
1-[5-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
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| Structure |
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| Formula |
C18H17ClN2O3
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| Molecular Weight |
344.798
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| Canonical SMILES |
COc1cc(ccc1O)C1CC(=NN1C(C)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H17ClN2O3/c1-11(22)21-16(13-5-8-17(23)18(9-13)24-2)10-15(20-21)12-3-6-14(19)7-4-12/h3-9,16,23H,10H2,1-2H3
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| InChIKey |
DDBOVZJFZPFQFA-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