General Information of the Compound
| Compound ID |
CP0139872
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| Compound Name |
4-[2-(3-chlorophenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-3-yl]-2,3-difluorophenol
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| Structure |
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| Formula |
C21H15ClF2N2O2
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| Molecular Weight |
400.812
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| Canonical SMILES |
Oc1ccc(C2CC(=NN2c2cccc(Cl)c2)c2ccccc2O)c(F)c1F
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| InChI |
InChI=1S/C21H15ClF2N2O2/c22-12-4-3-5-13(10-12)26-17(15-8-9-19(28)21(24)20(15)23)11-16(25-26)14-6-1-2-7-18(14)27/h1-10,17,27-28H,11H2
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| InChIKey |
IWYZSYOXYGMZMV-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