General Information of the Compound
| Compound ID |
CP0042841
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| Compound Name |
4-[2-(3-chlorophenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-3-yl]-2-fluorophenol
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| Structure |
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| Formula |
C21H16ClFN2O2
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| Molecular Weight |
382.822
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| Canonical SMILES |
Oc1ccc(cc1F)C1CC(=NN1c1cccc(Cl)c1)c1ccccc1O
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| InChI |
InChI=1S/C21H16ClFN2O2/c22-14-4-3-5-15(11-14)25-19(13-8-9-21(27)17(23)10-13)12-18(24-25)16-6-1-2-7-20(16)26/h1-11,19,26-27H,12H2
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| InChIKey |
TUKBHTJIIAMXQX-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